Carbonyl compounds
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Haloperidol 98.0+%, TCI America™
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CAS: 52-86-8 Molecular Formula: C21H23ClFNO2 Molecular Weight (g/mol): 375.87 MDL Number: MFCD00051423 InChI Key: LNEPOXFFQSENCJ-UHFFFAOYSA-N Synonym: haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol PubChem CID: 3559 ChEBI: CHEBI:5613 IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
| PubChem CID | 3559 |
|---|---|
| CAS | 52-86-8 |
| Molecular Weight (g/mol) | 375.87 |
| ChEBI | CHEBI:5613 |
| MDL Number | MFCD00051423 |
| SMILES | OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 |
| Synonym | haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol |
| IUPAC Name | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
| InChI Key | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
| Molecular Formula | C21H23ClFNO2 |
1,4-Diacetylbenzene 99.0+%, TCI America™
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CAS: 1009-61-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00008750 InChI Key: SKBBQSLSGRSQAJ-UHFFFAOYSA-N Synonym: 1,4-diacetylbenzene,1,1'-1,4-phenylene diethanone,p-diacetylbenzene,p-acetylacetophenone,benzene, p-diacetyl,ethanone, 1,1'-1,4-phenylene bis,1-4-acetylphenyl ethanone,1-4-acetylphenyl ethan-1-one,1,1-1,4-phenylene bis-ethanone,4-acetylacetophenone PubChem CID: 13888 IUPAC Name: 1-(4-acetylphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(C=C1)C(C)=O
| PubChem CID | 13888 |
|---|---|
| CAS | 1009-61-6 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00008750 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(C)=O |
| Synonym | 1,4-diacetylbenzene,1,1'-1,4-phenylene diethanone,p-diacetylbenzene,p-acetylacetophenone,benzene, p-diacetyl,ethanone, 1,1'-1,4-phenylene bis,1-4-acetylphenyl ethanone,1-4-acetylphenyl ethan-1-one,1,1-1,4-phenylene bis-ethanone,4-acetylacetophenone |
| IUPAC Name | 1-(4-acetylphenyl)ethan-1-one |
| InChI Key | SKBBQSLSGRSQAJ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
4-Acetylbiphenyl 98.0+%, TCI America™
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CAS: 92-91-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008749 InChI Key: QCZZSANNLWPGEA-UHFFFAOYSA-N Synonym: 4-acetylbiphenyl,4'-phenylacetophenone,4-phenylacetophenone,4-biphenylyl methyl ketone,p-phenylacetophenone,p-acetylbiphenyl,1-1,1'-biphenyl-4-yl ethanone,acetophenone, 4'-phenyl,1-4-phenylphenyl ethanone,ketone, 4-biphenylyl methyl PubChem CID: 7113 IUPAC Name: 1-(4-phenylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
| PubChem CID | 7113 |
|---|---|
| CAS | 92-91-1 |
| Molecular Weight (g/mol) | 196.249 |
| MDL Number | MFCD00008749 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| Synonym | 4-acetylbiphenyl,4'-phenylacetophenone,4-phenylacetophenone,4-biphenylyl methyl ketone,p-phenylacetophenone,p-acetylbiphenyl,1-1,1'-biphenyl-4-yl ethanone,acetophenone, 4'-phenyl,1-4-phenylphenyl ethanone,ketone, 4-biphenylyl methyl |
| IUPAC Name | 1-(4-phenylphenyl)ethanone |
| InChI Key | QCZZSANNLWPGEA-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
Emodin 96.0+%, TCI America™
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CAS: 518-82-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00001207 InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N Synonym: emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone PubChem CID: 3220 ChEBI: CHEBI:42223 IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O
| PubChem CID | 3220 |
|---|---|
| CAS | 518-82-1 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:42223 |
| MDL Number | MFCD00001207 |
| SMILES | CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O |
| Synonym | emodin,schuttgelb,emodol,frangula emodin,rheum emodin,frangulic acid,3-methyl-1,6,8-trihydroxyanthraquinone,archin,persian berry lake,1,3,8-trihydroxy-6-methyl-9,10-anthraquinone |
| IUPAC Name | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| InChI Key | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
3-Hydroxy-4,5-dimethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 29865-90-5 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00010442 InChI Key: NVLTWXMZECWWPC-UHFFFAOYSA-N Synonym: 5-Hydroxyveratraldehyde, 5-Hydroxy-3,4-dimethoxybenzaldehyde PubChem CID: 141513 IUPAC Name: 3-hydroxy-4,5-dimethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(O)=C1OC
| PubChem CID | 141513 |
|---|---|
| CAS | 29865-90-5 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00010442 |
| SMILES | COC1=CC(C=O)=CC(O)=C1OC |
| Synonym | 5-Hydroxyveratraldehyde, 5-Hydroxy-3,4-dimethoxybenzaldehyde |
| IUPAC Name | 3-hydroxy-4,5-dimethoxybenzaldehyde |
| InChI Key | NVLTWXMZECWWPC-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
3'-Methoxyacetophenone 97.0+%, TCI America™
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CAS: 586-37-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008736 InChI Key: BAYUSCHCCGXLAY-UHFFFAOYSA-N Synonym: 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy PubChem CID: 11460 IUPAC Name: 1-(3-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OC
| PubChem CID | 11460 |
|---|---|
| CAS | 586-37-8 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008736 |
| SMILES | CC(=O)C1=CC(=CC=C1)OC |
| Synonym | 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy |
| IUPAC Name | 1-(3-methoxyphenyl)ethanone |
| InChI Key | BAYUSCHCCGXLAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2,6-Dibromoquinone-4-chloroimide 98.0+%, TCI America™
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CAS: 537-45-1 Molecular Formula: C6H2Br2ClNO Molecular Weight (g/mol): 299.346 MDL Number: MFCD00013792 InChI Key: JYWKEVKEKOTYEX-UHFFFAOYSA-N Synonym: 2,6-dibromoquinone-4-chloroimide,2,6-dibromo-4-chloroimino cyclohexa-2,5-dienone,bqc reagent,2,6-dibromoquinone-4-chlorimide,2,6-dibromoquinone chlorimide,2,6-dibromoquinone chloroimide,2,6-dibromoquinone chloroimine,n-chloro-2,6-dibromoquinoneimine,2,5-cyclohexadien-1-one, 2,6-dibromo-4-chloroimino,2,6-dibromo-p-benzoquinone-4-chlorimine PubChem CID: 10835 IUPAC Name: 2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one SMILES: C1=C(C(=O)C(=CC1=NCl)Br)Br
| PubChem CID | 10835 |
|---|---|
| CAS | 537-45-1 |
| Molecular Weight (g/mol) | 299.346 |
| MDL Number | MFCD00013792 |
| SMILES | C1=C(C(=O)C(=CC1=NCl)Br)Br |
| Synonym | 2,6-dibromoquinone-4-chloroimide,2,6-dibromo-4-chloroimino cyclohexa-2,5-dienone,bqc reagent,2,6-dibromoquinone-4-chlorimide,2,6-dibromoquinone chlorimide,2,6-dibromoquinone chloroimide,2,6-dibromoquinone chloroimine,n-chloro-2,6-dibromoquinoneimine,2,5-cyclohexadien-1-one, 2,6-dibromo-4-chloroimino,2,6-dibromo-p-benzoquinone-4-chlorimine |
| IUPAC Name | 2,6-dibromo-4-chloroiminocyclohexa-2,5-dien-1-one |
| InChI Key | JYWKEVKEKOTYEX-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2ClNO |
1-Indanone 98.0+%, TCI America™
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CAS: 83-33-0 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00003785 InChI Key: QNXSIUBBGPHDDE-UHFFFAOYSA-N Synonym: 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone PubChem CID: 6735 ChEBI: CHEBI:17404 IUPAC Name: 2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=CC=CC=C21
| PubChem CID | 6735 |
|---|---|
| CAS | 83-33-0 |
| Molecular Weight (g/mol) | 132.162 |
| ChEBI | CHEBI:17404 |
| MDL Number | MFCD00003785 |
| SMILES | C1CC(=O)C2=CC=CC=C21 |
| Synonym | 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone |
| IUPAC Name | 2,3-dihydroinden-1-one |
| InChI Key | QNXSIUBBGPHDDE-UHFFFAOYSA-N |
| Molecular Formula | C9H8O |
2-Bromo-4'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 2491-38-5 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00072424 InChI Key: LJYOFQHKEWTQRH-UHFFFAOYSA-N Synonym: 4-(Bromoacetyl)phenol, 4-Hydroxyphenacyl Bromide PubChem CID: 4964 IUPAC Name: 2-bromo-1-(4-hydroxyphenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)O
| PubChem CID | 4964 |
|---|---|
| CAS | 2491-38-5 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00072424 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)O |
| Synonym | 4-(Bromoacetyl)phenol, 4-Hydroxyphenacyl Bromide |
| IUPAC Name | 2-bromo-1-(4-hydroxyphenyl)ethanone |
| InChI Key | LJYOFQHKEWTQRH-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
2-Naphthaldehyde 98.0+%, TCI America™
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CAS: 66-99-9 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.184 MDL Number: MFCD00004094 InChI Key: PJKVFARRVXDXAD-UHFFFAOYSA-N Synonym: 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene PubChem CID: 6201 ChEBI: CHEBI:52368 IUPAC Name: naphthalene-2-carbaldehyde SMILES: C1=CC=C2C=C(C=CC2=C1)C=O
| PubChem CID | 6201 |
|---|---|
| CAS | 66-99-9 |
| Molecular Weight (g/mol) | 156.184 |
| ChEBI | CHEBI:52368 |
| MDL Number | MFCD00004094 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C=O |
| Synonym | 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene |
| IUPAC Name | naphthalene-2-carbaldehyde |
| InChI Key | PJKVFARRVXDXAD-UHFFFAOYSA-N |
| Molecular Formula | C11H8O |
2-Methyl-3-butyn-2-ol 98.0+%, TCI America™
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CAS: 115-19-5 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00004467 InChI Key: CEBKHWWANWSNTI-UHFFFAOYSA-N Synonym: 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol PubChem CID: 8258 IUPAC Name: 2-methylbut-3-yn-2-ol SMILES: CC(C)(C#C)O
| PubChem CID | 8258 |
|---|---|
| CAS | 115-19-5 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00004467 |
| SMILES | CC(C)(C#C)O |
| Synonym | 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol |
| IUPAC Name | 2-methylbut-3-yn-2-ol |
| InChI Key | CEBKHWWANWSNTI-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
4'-Methylpropiophenone 95.0+%, TCI America™
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CAS: 5337-93-9 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00009312 InChI Key: PATYHUUYADUHQS-UHFFFAOYSA-N Synonym: 4'-methylpropiophenone,1-p-tolyl propan-1-one,p-methylpropiophenone,4-methylpropiophenone,1-4-methylphenyl propan-1-one,1-propanone, 1-4-methylphenyl,p-tolyl ethyl ketone,p-methyl propiophenone,1-p-tolylpropan-1-one,1-4-methylphenyl-1-propanone PubChem CID: 21429 ChEBI: CHEBI:59335 IUPAC Name: 1-(4-methylphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C)C=C1
| PubChem CID | 21429 |
|---|---|
| CAS | 5337-93-9 |
| Molecular Weight (g/mol) | 148.21 |
| ChEBI | CHEBI:59335 |
| MDL Number | MFCD00009312 |
| SMILES | CCC(=O)C1=CC=C(C)C=C1 |
| Synonym | 4'-methylpropiophenone,1-p-tolyl propan-1-one,p-methylpropiophenone,4-methylpropiophenone,1-4-methylphenyl propan-1-one,1-propanone, 1-4-methylphenyl,p-tolyl ethyl ketone,p-methyl propiophenone,1-p-tolylpropan-1-one,1-4-methylphenyl-1-propanone |
| IUPAC Name | 1-(4-methylphenyl)propan-1-one |
| InChI Key | PATYHUUYADUHQS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Tris(2,4-pentanedionato)chromium(III) 98.0+%, TCI America™
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CAS: 21679-31-2 Molecular Formula: C15H21CrO6 Molecular Weight (g/mol): 349.32 MDL Number: MFCD00000015 MFCD00000015 InChI Key: JWORPXLMBPOPPU-LNTINUHCSA-K Synonym: chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863 PubChem CID: 91759531 IUPAC Name: chromium(3+) tris((2Z)-4-oxopent-2-en-2-olate) SMILES: [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 91759531 |
|---|---|
| CAS | 21679-31-2 |
| Molecular Weight (g/mol) | 349.32 |
| MDL Number | MFCD00000015 MFCD00000015 |
| SMILES | [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863 |
| IUPAC Name | chromium(3+) tris((2Z)-4-oxopent-2-en-2-olate) |
| InChI Key | JWORPXLMBPOPPU-LNTINUHCSA-K |
| Molecular Formula | C15H21CrO6 |
D-(+)-Melibiose Monohydrate 99.0+%, TCI America™
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CAS: 66009-10-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00198188 InChI Key: CHIDEFLSUMQFBY-UHFFFAOYNA-N Synonym: d +-melibiose monohydrate,d-+-melibiose hydrate,585-99-9 anhydrous,melibiose hplc,6-,a-d-galactopyranosyl-d-glucopyranose,6-o-a-d-galactopyranosyl-d-glucopyranose hydrate,6-o-a-d-galactopyranosyl-d-glucose monohydrate,6-o-a-d-galactopyranosyl-d-glucopyranose monohydrate,6-o-alpha-d-galactopyranosyl-d-glucose monohydrate,d-glucose, 6-o-a-d-galactopyranosyl-, monohydrate 9ci PubChem CID: 71308738 IUPAC Name: 2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC1OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C1O
| PubChem CID | 71308738 |
|---|---|
| CAS | 66009-10-7 |
| Molecular Weight (g/mol) | 360.31 |
| MDL Number | MFCD00198188 |
| SMILES | O.OCC1OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C1O |
| Synonym | d +-melibiose monohydrate,d-+-melibiose hydrate,585-99-9 anhydrous,melibiose hplc,6-,a-d-galactopyranosyl-d-glucopyranose,6-o-a-d-galactopyranosyl-d-glucopyranose hydrate,6-o-a-d-galactopyranosyl-d-glucose monohydrate,6-o-a-d-galactopyranosyl-d-glucopyranose monohydrate,6-o-alpha-d-galactopyranosyl-d-glucose monohydrate,d-glucose, 6-o-a-d-galactopyranosyl-, monohydrate 9ci |
| IUPAC Name | 2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate |
| InChI Key | CHIDEFLSUMQFBY-UHFFFAOYNA-N |
| Molecular Formula | C12H24O12 |
Hydrindantin Dihydrate 97.0+%, TCI America™
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CAS: 16289-95-5 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.30 MDL Number: MFCD00149242 InChI Key: QIAIXVRAKYAOGJ-UHFFFAOYSA-N PubChem CID: 23216254 IUPAC Name: 2,2'-dihydroxy-1H,1'H,2H,2'H,3H,3'H-[2,2'-biindene]-1,1',3,3'-tetrone dihydrate SMILES: O.O.OC1(C(=O)C2=CC=CC=C2C1=O)C1(O)C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 23216254 |
|---|---|
| CAS | 16289-95-5 |
| Molecular Weight (g/mol) | 358.30 |
| MDL Number | MFCD00149242 |
| SMILES | O.O.OC1(C(=O)C2=CC=CC=C2C1=O)C1(O)C(=O)C2=CC=CC=C2C1=O |
| IUPAC Name | 2,2'-dihydroxy-1H,1'H,2H,2'H,3H,3'H-[2,2'-biindene]-1,1',3,3'-tetrone dihydrate |
| InChI Key | QIAIXVRAKYAOGJ-UHFFFAOYSA-N |
| Molecular Formula | C18H14O8 |