Benzenoids
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4-Hydroxybenzotrifluoride 98.0+%, TCI America™
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CAS: 402-45-9 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.111 MDL Number: MFCD00002363 InChI Key: BAYGVMXZJBFEMB-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenol,4-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-p-cresol,p-trifluoromethylphenol,p-hydroxybenzotrifluoride,phenol, 4-trifluoromethyl,a,a,a-trifluoro-p-cresol,4-trifluoromethyl-phenol,para-trifluoromethylphenol PubChem CID: 67874 ChEBI: CHEBI:42578 IUPAC Name: 4-(trifluoromethyl)phenol SMILES: C1=CC(=CC=C1C(F)(F)F)O
| PubChem CID | 67874 |
|---|---|
| CAS | 402-45-9 |
| Molecular Weight (g/mol) | 162.111 |
| ChEBI | CHEBI:42578 |
| MDL Number | MFCD00002363 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)O |
| Synonym | 4-trifluoromethyl phenol,4-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-p-cresol,p-trifluoromethylphenol,p-hydroxybenzotrifluoride,phenol, 4-trifluoromethyl,a,a,a-trifluoro-p-cresol,4-trifluoromethyl-phenol,para-trifluoromethylphenol |
| IUPAC Name | 4-(trifluoromethyl)phenol |
| InChI Key | BAYGVMXZJBFEMB-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3O |
3-Fluoro-N-methylbenzylamine 97.0+%, TCI America™
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CAS: 90389-84-7 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.17 MDL Number: MFCD04623547 InChI Key: ZXWCKKSSCIFVBT-UHFFFAOYSA-N Synonym: 3-fluorobenzyl methylamine,n-methyl-3-fluorobenzylamine,3-fluoro-n-methylbenzylamine,1-3-fluorophenyl-n-methylmethanamine,benzenemethanamine, 3-fluoro-n-methyl,3-fluorophenyl methyl methyl amine,1-3-fluorophenyl-n-methyl-methanamine,3-fluorophenyl-n-methylmethanamine,3-fluorobenzyl-methylamine,acmc-209r5x PubChem CID: 457577 IUPAC Name: [(3-fluorophenyl)methyl](methyl)amine SMILES: CNCC1=CC=CC(F)=C1
| PubChem CID | 457577 |
|---|---|
| CAS | 90389-84-7 |
| Molecular Weight (g/mol) | 139.17 |
| MDL Number | MFCD04623547 |
| SMILES | CNCC1=CC=CC(F)=C1 |
| Synonym | 3-fluorobenzyl methylamine,n-methyl-3-fluorobenzylamine,3-fluoro-n-methylbenzylamine,1-3-fluorophenyl-n-methylmethanamine,benzenemethanamine, 3-fluoro-n-methyl,3-fluorophenyl methyl methyl amine,1-3-fluorophenyl-n-methyl-methanamine,3-fluorophenyl-n-methylmethanamine,3-fluorobenzyl-methylamine,acmc-209r5x |
| IUPAC Name | [(3-fluorophenyl)methyl](methyl)amine |
| InChI Key | ZXWCKKSSCIFVBT-UHFFFAOYSA-N |
| Molecular Formula | C8H10FN |
Benzethonium Chloride 97.0+%, TCI America™
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CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.088 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264 IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
| PubChem CID | 8478 |
|---|---|
| CAS | 121-54-0 |
| Molecular Weight (g/mol) | 448.088 |
| ChEBI | CHEBI:31264 |
| MDL Number | MFCD00011742 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] |
| Synonym | benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin |
| IUPAC Name | benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride |
| InChI Key | UREZNYTWGJKWBI-UHFFFAOYSA-M |
| Molecular Formula | C27H42ClNO2 |
2-(Phenylthio)ethanol 97.0+%, TCI America™
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CAS: 699-12-7 Molecular Formula: C8H10OS Molecular Weight (g/mol): 154.23 MDL Number: MFCD00002905 InChI Key: KWWZHCSQVRVQGF-UHFFFAOYSA-N Synonym: 2-phenylthio ethanol,phenylthioethanol,ethanol, 2-phenylthio,2-hydroxyethyl phenyl sulfide,2-phenylmercaptoethanol,2-phenylsulfanyl ethanol,2-phenylthioethanol,unii-9wa374o44p,pubchem10784 PubChem CID: 69685 IUPAC Name: 2-(phenylsulfanyl)ethan-1-ol SMILES: OCCSC1=CC=CC=C1
| PubChem CID | 69685 |
|---|---|
| CAS | 699-12-7 |
| Molecular Weight (g/mol) | 154.23 |
| MDL Number | MFCD00002905 |
| SMILES | OCCSC1=CC=CC=C1 |
| Synonym | 2-phenylthio ethanol,phenylthioethanol,ethanol, 2-phenylthio,2-hydroxyethyl phenyl sulfide,2-phenylmercaptoethanol,2-phenylsulfanyl ethanol,2-phenylthioethanol,unii-9wa374o44p,pubchem10784 |
| IUPAC Name | 2-(phenylsulfanyl)ethan-1-ol |
| InChI Key | KWWZHCSQVRVQGF-UHFFFAOYSA-N |
| Molecular Formula | C8H10OS |
p-Anisaldehyde (contains Acetic Acid, H2SO4) Ethanol Solution [for TLC Stain], TCI America™
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CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O
| PubChem CID | 31244 |
|---|---|
| CAS | 123-11-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28235 |
| MDL Number | MFCD00003385 |
| SMILES | COC1=CC=C(C=C1)C=O |
| Synonym | p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine |
| IUPAC Name | 4-methoxybenzaldehyde |
| InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
4-tert-Butylstyrene (stabilized with TBC) 90.0+%, TCI America™
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CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C
| PubChem CID | 15627 |
|---|---|
| CAS | 1746-23-2 |
| Molecular Weight (g/mol) | 160.26 |
| MDL Number | MFCD00065126 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C=C |
| Synonym | 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene |
| IUPAC Name | 1-tert-butyl-4-ethenylbenzene |
| InChI Key | QEDJMOONZLUIMC-UHFFFAOYSA-N |
| Molecular Formula | C12H16 |
4-Bromostyrene (stabilized with TBC) 95.0+%, TCI America™
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CAS: 2039-82-9 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 MDL Number: MFCD00000110 InChI Key: WGGLDBIZIQMEGH-UHFFFAOYSA-N Synonym: 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu PubChem CID: 16263 IUPAC Name: 1-bromo-4-ethenylbenzene SMILES: BrC1=CC=C(C=C)C=C1
| PubChem CID | 16263 |
|---|---|
| CAS | 2039-82-9 |
| Molecular Weight (g/mol) | 183.05 |
| MDL Number | MFCD00000110 |
| SMILES | BrC1=CC=C(C=C)C=C1 |
| Synonym | 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu |
| IUPAC Name | 1-bromo-4-ethenylbenzene |
| InChI Key | WGGLDBIZIQMEGH-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
Ethylene Glycol Diphenyl Ether 99.0+%, TCI America™
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CAS: 104-66-5 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00003039 InChI Key: XCSGHNKDXGYELG-UHFFFAOYSA-N Synonym: 1,2-diphenoxyethane,ethylene glycol diphenyl ether,diphenyl glycol,ethane, 1,2-diphenoxy,benzene, 1,1'-1,2-ethanediylbis oxy bis,2-phenoxyethyl phenyl ether,unii-v9w31hx4aw,diphenyl cellosolve,1,1'-ethane-1,2-diylbis oxy dibenzene,2-phenoxyethoxy benzene PubChem CID: 7713 IUPAC Name: (2-phenoxyethoxy)benzene SMILES: C(COC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 7713 |
|---|---|
| CAS | 104-66-5 |
| Molecular Weight (g/mol) | 214.26 |
| MDL Number | MFCD00003039 |
| SMILES | C(COC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | 1,2-diphenoxyethane,ethylene glycol diphenyl ether,diphenyl glycol,ethane, 1,2-diphenoxy,benzene, 1,1'-1,2-ethanediylbis oxy bis,2-phenoxyethyl phenyl ether,unii-v9w31hx4aw,diphenyl cellosolve,1,1'-ethane-1,2-diylbis oxy dibenzene,2-phenoxyethoxy benzene |
| IUPAC Name | (2-phenoxyethoxy)benzene |
| InChI Key | XCSGHNKDXGYELG-UHFFFAOYSA-N |
| Molecular Formula | C14H14O2 |
2-Isopropenyltoluene (stabilized with BHT) 98.0+%, TCI America™
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CAS: 7399-49-7 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00049092 InChI Key: OGMSGZZPTQNTIK-UHFFFAOYSA-N PubChem CID: 81886 IUPAC Name: 1-methyl-2-prop-1-en-2-ylbenzene SMILES: CC1=CC=CC=C1C(=C)C
| PubChem CID | 81886 |
|---|---|
| CAS | 7399-49-7 |
| Molecular Weight (g/mol) | 132.206 |
| MDL Number | MFCD00049092 |
| SMILES | CC1=CC=CC=C1C(=C)C |
| IUPAC Name | 1-methyl-2-prop-1-en-2-ylbenzene |
| InChI Key | OGMSGZZPTQNTIK-UHFFFAOYSA-N |
| Molecular Formula | C10H12 |
2-Amino-4-chlorophenol 98.0+%, TCI America™
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CAS: 95-85-2 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD00007694 InChI Key: SWFNPENEBHAHEB-UHFFFAOYSA-N Synonym: 5-chloro-2-hydroxyaniline,phenol, 2-amino-4-chloro,fouramine py,4-chloro-2-aminophenol,2-hydroxy-5-chloroaniline,p-chloro-o-aminophenol,c.i. oxidation base 18,2-amino-4-chloro-phenol,unii-2z43lea3dx,ccris 4579 PubChem CID: 7265 IUPAC Name: 2-amino-4-chlorophenol SMILES: NC1=CC(Cl)=CC=C1O
| PubChem CID | 7265 |
|---|---|
| CAS | 95-85-2 |
| Molecular Weight (g/mol) | 143.57 |
| MDL Number | MFCD00007694 |
| SMILES | NC1=CC(Cl)=CC=C1O |
| Synonym | 5-chloro-2-hydroxyaniline,phenol, 2-amino-4-chloro,fouramine py,4-chloro-2-aminophenol,2-hydroxy-5-chloroaniline,p-chloro-o-aminophenol,c.i. oxidation base 18,2-amino-4-chloro-phenol,unii-2z43lea3dx,ccris 4579 |
| IUPAC Name | 2-amino-4-chlorophenol |
| InChI Key | SWFNPENEBHAHEB-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO |
4-Chloro-2-methylaniline 98.0+%, TCI America™
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CAS: 95-69-2 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00007842 InChI Key: CXNVOWPRHWWCQR-UHFFFAOYSA-N Synonym: 4-chloro-o-toluidine,2-amino-5-chlorotoluene,fast red tr base,p-chloro-o-toluidine,kambamine red tr,benzenamine, 4-chloro-2-methyl,red tr base,5-chloro-2-aminotoluene,2-methyl-4-chloroaniline,4-chloro-2-toluidine PubChem CID: 7251 ChEBI: CHEBI:82276 IUPAC Name: 4-chloro-2-methylaniline SMILES: CC1=C(C=CC(=C1)Cl)N
| PubChem CID | 7251 |
|---|---|
| CAS | 95-69-2 |
| Molecular Weight (g/mol) | 141.598 |
| ChEBI | CHEBI:82276 |
| MDL Number | MFCD00007842 |
| SMILES | CC1=C(C=CC(=C1)Cl)N |
| Synonym | 4-chloro-o-toluidine,2-amino-5-chlorotoluene,fast red tr base,p-chloro-o-toluidine,kambamine red tr,benzenamine, 4-chloro-2-methyl,red tr base,5-chloro-2-aminotoluene,2-methyl-4-chloroaniline,4-chloro-2-toluidine |
| IUPAC Name | 4-chloro-2-methylaniline |
| InChI Key | CXNVOWPRHWWCQR-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
1-Fluoro-2-iodobenzene 99.0+%, TCI America™
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CAS: 348-52-7 Molecular Formula: C6H4FI Molecular Weight (g/mol): 222.00 MDL Number: MFCD00001031 InChI Key: TYHUGKGZNOULKD-UHFFFAOYSA-N Synonym: 2-fluoroiodobenzene,o-fluoroiodobenzene,o-iodofluorobenzene,benzene, 1-fluoro-2-iodo,2-iodofluorobenzene,3-fluoro-2-iodobenzene,1-fluoro-2-iodo-benzene,2-fluoro-iodobenzene,2-fluoro-1-iodobenzene PubChem CID: 67673 IUPAC Name: 1-fluoro-2-iodobenzene SMILES: FC1=CC=CC=C1I
| PubChem CID | 67673 |
|---|---|
| CAS | 348-52-7 |
| Molecular Weight (g/mol) | 222.00 |
| MDL Number | MFCD00001031 |
| SMILES | FC1=CC=CC=C1I |
| Synonym | 2-fluoroiodobenzene,o-fluoroiodobenzene,o-iodofluorobenzene,benzene, 1-fluoro-2-iodo,2-iodofluorobenzene,3-fluoro-2-iodobenzene,1-fluoro-2-iodo-benzene,2-fluoro-iodobenzene,2-fluoro-1-iodobenzene |
| IUPAC Name | 1-fluoro-2-iodobenzene |
| InChI Key | TYHUGKGZNOULKD-UHFFFAOYSA-N |
| Molecular Formula | C6H4FI |
3-Nitrophthalic Acid 98.0+%, TCI America™
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CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007138 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
| PubChem CID | 69043 |
|---|---|
| CAS | 603-11-2 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00007138 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O |
| Synonym | 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid |
| InChI Key | KFIRODWJCYBBHY-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |
Methyl (Triphenylphosphoranylidene)acetate 98.0+%, TCI America™
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CAS: 2605-67-6 Molecular Formula: C21H19O2P Molecular Weight (g/mol): 334.36 MDL Number: MFCD00008455 InChI Key: NTNUDYROPUKXNA-UHFFFAOYSA-N Synonym: methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester PubChem CID: 17453 IUPAC Name: methyl 2-(triphenyl-λ⁵-phosphanylidene)acetate SMILES: COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 17453 |
|---|---|
| CAS | 2605-67-6 |
| Molecular Weight (g/mol) | 334.36 |
| MDL Number | MFCD00008455 |
| SMILES | COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester |
| IUPAC Name | methyl 2-(triphenyl-λ⁵-phosphanylidene)acetate |
| InChI Key | NTNUDYROPUKXNA-UHFFFAOYSA-N |
| Molecular Formula | C21H19O2P |
2,3,6,7,10,11-Hexahydroxytriphenylene Hydrate 95.0+%, TCI America™
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CAS: 4877-80-9 Molecular Formula: C18H12O6 Molecular Weight (g/mol): 324.288 MDL Number: MFCD01321170 InChI Key: QMLILIIMKSKLES-UHFFFAOYSA-N Synonym: 2,3,6,7,10,11-hexahydroxytriphenylene,triphenylene-2,3,6,7,10,11-hexaol,2,3,6,7,10,11-triphenylenehexol,acmc-1ak9f,2,3,6,7,10,11-hexa-hydroxytriphenylene PubChem CID: 11088610 IUPAC Name: triphenylene-2,3,6,7,10,11-hexol SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O
| PubChem CID | 11088610 |
|---|---|
| CAS | 4877-80-9 |
| Molecular Weight (g/mol) | 324.288 |
| MDL Number | MFCD01321170 |
| SMILES | C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O |
| Synonym | 2,3,6,7,10,11-hexahydroxytriphenylene,triphenylene-2,3,6,7,10,11-hexaol,2,3,6,7,10,11-triphenylenehexol,acmc-1ak9f,2,3,6,7,10,11-hexa-hydroxytriphenylene |
| IUPAC Name | triphenylene-2,3,6,7,10,11-hexol |
| InChI Key | QMLILIIMKSKLES-UHFFFAOYSA-N |
| Molecular Formula | C18H12O6 |