Organooxygen compounds
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Thermo Scientific Chemicals Ergosterol, 98%
CAS: 57-87-4 Formula molecolare: C28H44O Molecular Weight (g/mol): 396.64 Numero MDL: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N Sinonimo: ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e PubChem CID: 444679 ChEBI: CHEBI:16933 IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
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| Sinonimo | ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e |
|---|---|
| Numero MDL | MFCD00003623 |
| PubChem CID | 444679 |
| Formula molecolare | C28H44O |
| CAS | 57-87-4 |
| Molecular Weight (g/mol) | 396.64 |
| ChEBI | CHEBI:16933 |
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| IUPAC Name | (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI Key | DNVPQKQSNYMLRS-APGDWVJJSA-N |
Thermo Scientific Chemicals Riboflavin, 98%
CAS: 83-88-5 Formula molecolare: C17H20N4O6 Molecular Weight (g/mol): 376.37 Numero MDL: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N Sinonimo: riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin PubChem CID: 71310809 SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
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| Sinonimo | riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin |
|---|---|
| Numero MDL | MFCD00005022 |
| PubChem CID | 71310809 |
| Formula molecolare | C17H20N4O6 |
| CAS | 83-88-5 |
| Molecular Weight (g/mol) | 376.37 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
1,2-Propanediol, 99%, extra pure
CAS: 57-55-6 Formula molecolare: C3H8O2 Molecular Weight (g/mol): 76.09 Numero MDL: MFCD00064272 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Sinonimo: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: 1,2-propandiolo SMILES: CC(CO)O
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| Sinonimo | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
|---|---|
| Numero MDL | MFCD00064272 |
| PubChem CID | 1030 |
| Formula molecolare | C3H8O2 |
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:16997 |
| SMILES | CC(CO)O |
| IUPAC Name | 1,2-propandiolo |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
L(+)-Ascorbic acid, ACS reagent
CAS: 50-81-7 Formula molecolare: C6H8O6 Molecular Weight (g/mol): 176.12 Numero MDL: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Sinonimo: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
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| Sinonimo | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
|---|---|
| Numero MDL | MFCD00064328 |
| PubChem CID | 54670067 |
| Formula molecolare | C6H8O6 |
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
Malonic acid, 99%
CAS: 141-82-2 Formula molecolare: C3H4O4 Molecular Weight (g/mol): 104.061 Numero MDL: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Sinonimo: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O
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| Sinonimo | malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid |
|---|---|
| Numero MDL | MFCD00002707 |
| PubChem CID | 867 |
| Formula molecolare | C3H4O4 |
| CAS | 141-82-2 |
| Molecular Weight (g/mol) | 104.061 |
| ChEBI | CHEBI:30794 |
| SMILES | C(C(=O)O)C(=O)O |
| IUPAC Name | propanedioic acid |
| InChI Key | OFOBLEOULBTSOW-UHFFFAOYSA-N |
L-Ascorbic Acid, Certified AR for Analysis, Fisher Chemical
CAS: 50-81-7 Formula molecolare: C6H8O6 Numero MDL: 64328
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| Numero MDL | 64328 |
|---|---|
| Formula molecolare | C6H8O6 |
| CAS | 50-81-7 |
Thermo Scientific Chemicals D-(+)-Maltose monohydrate, 95%
CAS: 6363-53-7 Formula molecolare: C12H24O12 Molecular Weight (g/mol): 360.31 Numero MDL: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Sinonimo: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
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| Sinonimo | d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra |
|---|---|
| Numero MDL | MFCD00149343 |
| Formula molecolare | C12H24O12 |
| CAS | 6363-53-7 |
| Molecular Weight (g/mol) | 360.31 |
| SMILES | O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O |
| IUPAC Name | 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate |
| InChI Key | HBDJFVFTHLOSDW-UHFFFAOYNA-N |
L-(+)-Ascorbic acid, ACS, 99+%
CAS: 50-81-7 Formula molecolare: C6H8O6 Molecular Weight (g/mol): 176.12 Numero MDL: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Sinonimo: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
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| Sinonimo | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
|---|---|
| Numero MDL | MFCD00064328 |
| PubChem CID | 54670067 |
| Formula molecolare | C6H8O6 |
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| IUPAC Name | (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
1,4-Butanediol, 99%
CAS: 110-63-4 Formula molecolare: C4H10O2 Molecular Weight (g/mol): 90.12 Numero MDL: MFCD00002968 InChI Key: WERYXYBDKMZEQL-UHFFFAOYSA-N Sinonimo: 1,4-butanediol,1,4-butylene glycol,tetramethylene glycol,1,4-dihydroxybutane,1,4-tetramethylene glycol,tetramethylene 1,4-diol,sucol b,diol 14b,agrisynth b1d,unii-7xoo2le6g3 PubChem CID: 8064 ChEBI: CHEBI:41189 IUPAC Name: butane-1,4-diol SMILES: OCCCCO
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| Sinonimo | 1,4-butanediol,1,4-butylene glycol,tetramethylene glycol,1,4-dihydroxybutane,1,4-tetramethylene glycol,tetramethylene 1,4-diol,sucol b,diol 14b,agrisynth b1d,unii-7xoo2le6g3 |
|---|---|
| Numero MDL | MFCD00002968 |
| PubChem CID | 8064 |
| Formula molecolare | C4H10O2 |
| CAS | 110-63-4 |
| Molecular Weight (g/mol) | 90.12 |
| ChEBI | CHEBI:41189 |
| SMILES | OCCCCO |
| IUPAC Name | butane-1,4-diol |
| InChI Key | WERYXYBDKMZEQL-UHFFFAOYSA-N |
Propane-1,2-Diol, Extra Pure, SLR, meets analytical specification of Ph.Eur., BP, USP, Fisher Chemical™
CAS: 57-55-6 Formula molecolare: C3H8O2 Molecular Weight (g/mol): 76.095 Numero MDL: 64272 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Sinonimo: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: 1,2-propandiolo SMILES: CC(CO)O
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| Sinonimo | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
|---|---|
| Numero MDL | 64272 |
| PubChem CID | 1030 |
| Formula molecolare | C3H8O2 |
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:16997 |
| SMILES | CC(CO)O |
| IUPAC Name | 1,2-propandiolo |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
DL-alpha-Tocopherol, 97+%
CAS: 10191-41-0 Formula molecolare: C29H50O2 Molecular Weight (g/mol): 430.72 Numero MDL: MFCD00072051 InChI Key: GVJHHUAWPYXKBD-IEOSBIPESA-N Sinonimo: vitamin e,alpha-tocopherol,d-alpha-tocopherol,5,7,8-trimethyltocol,+-alpha-tocopherol,r,r,r-alpha-tocopherol,phytogermine,eprolin,2r,4'r,8'r-alpha-tocopherol,dl-a-tocopherol PubChem CID: 14985 ChEBI: CHEBI:18145 IUPAC Name: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1
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| Sinonimo | vitamin e,alpha-tocopherol,d-alpha-tocopherol,5,7,8-trimethyltocol,+-alpha-tocopherol,r,r,r-alpha-tocopherol,phytogermine,eprolin,2r,4'r,8'r-alpha-tocopherol,dl-a-tocopherol |
|---|---|
| Numero MDL | MFCD00072051 |
| PubChem CID | 14985 |
| Formula molecolare | C29H50O2 |
| CAS | 10191-41-0 |
| Molecular Weight (g/mol) | 430.72 |
| ChEBI | CHEBI:18145 |
| SMILES | CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1 |
| IUPAC Name | (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol |
| InChI Key | GVJHHUAWPYXKBD-IEOSBIPESA-N |
tert-Butyl acetoacetate, 97%
CAS: 1694-31-1 Formula molecolare: C8H14O3 Molecular Weight (g/mol): 158.2 Numero MDL: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Sinonimo: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C
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| Sinonimo | tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate |
|---|---|
| Numero MDL | MFCD00008811 |
| PubChem CID | 15538 |
| Formula molecolare | C8H14O3 |
| CAS | 1694-31-1 |
| Molecular Weight (g/mol) | 158.2 |
| SMILES | CC(=O)CC(=O)OC(C)(C)C |
| IUPAC Name | tert-butyl 3-oxobutanoate |
| InChI Key | JKUYRAMKJLMYLO-UHFFFAOYSA-N |
1,2-Propanediol, ACS, 99.5% min
CAS: 57-55-6 Formula molecolare: C3H8O2 Molecular Weight (g/mol): 76.095 Numero MDL: MFCD00064272 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Sinonimo: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: 1,2-propandiolo SMILES: CC(CO)O
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| Sinonimo | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
|---|---|
| Numero MDL | MFCD00064272 |
| PubChem CID | 1030 |
| Formula molecolare | C3H8O2 |
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:16997 |
| SMILES | CC(CO)O |
| IUPAC Name | 1,2-propandiolo |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
Deoxycholic acid, 99%, Thermo Scientific Chemicals
CAS: 83-44-3 Formula molecolare: C24H40O4 Molecular Weight (g/mol): 392.58 Numero MDL: MFCD00003673 InChI Key: KXGVEGMKQFWNSR-LLQZFEROSA-N Sinonimo: deoxycholic acid,deoxycholate,desoxycholic acid,choleic acid,cholerebic,cholorebic,degalol,deoxycholatic acid,droxolan,pyrochol PubChem CID: 222528 ChEBI: CHEBI:28834 IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
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| Sinonimo | deoxycholic acid,deoxycholate,desoxycholic acid,choleic acid,cholerebic,cholorebic,degalol,deoxycholatic acid,droxolan,pyrochol |
|---|---|
| Numero MDL | MFCD00003673 |
| PubChem CID | 222528 |
| Formula molecolare | C24H40O4 |
| CAS | 83-44-3 |
| Molecular Weight (g/mol) | 392.58 |
| ChEBI | CHEBI:28834 |
| SMILES | [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C |
| IUPAC Name | (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChI Key | KXGVEGMKQFWNSR-LLQZFEROSA-N |
1-Octadecanol, 97%
CAS: 112-92-5 Formula molecolare: C18H38O Molecular Weight (g/mol): 270.501 Numero MDL: MFCD00002823 InChI Key: GLDOVTGHNKAZLK-UHFFFAOYSA-N Sinonimo: stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol PubChem CID: 8221 ChEBI: CHEBI:32154 IUPAC Name: octadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCCO
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| Sinonimo | stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol |
|---|---|
| Numero MDL | MFCD00002823 |
| PubChem CID | 8221 |
| Formula molecolare | C18H38O |
| CAS | 112-92-5 |
| Molecular Weight (g/mol) | 270.501 |
| ChEBI | CHEBI:32154 |
| SMILES | CCCCCCCCCCCCCCCCCCO |
| IUPAC Name | octadecan-1-ol |
| InChI Key | GLDOVTGHNKAZLK-UHFFFAOYSA-N |