Benzenoids
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4-Azido-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-homoalanine 98.0+%, TCI America™
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CAS: 942518-20-9 Molecular Formula: C19H18N4O4 Molecular Weight (g/mol): 366.377 MDL Number: MFCD11052920 InChI Key: CLEZARXVEABQBI-KRWDZBQOSA-N Synonym: 4-Azido-N-Fmoc-L-homoalanine PubChem CID: 25146060 IUPAC Name: (2S)-4-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCN=[N+]=[N-])C(=O)O
| PubChem CID | 25146060 |
|---|---|
| CAS | 942518-20-9 |
| Molecular Weight (g/mol) | 366.377 |
| MDL Number | MFCD11052920 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCN=[N+]=[N-])C(=O)O |
| Synonym | 4-Azido-N-Fmoc-L-homoalanine |
| IUPAC Name | (2S)-4-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChI Key | CLEZARXVEABQBI-KRWDZBQOSA-N |
| Molecular Formula | C19H18N4O4 |
4-Heptylphenol 98.0+%, TCI America™
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CAS: 1987-50-4 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.302 MDL Number: MFCD00041751 InChI Key: KNDDEFBFJLKPFE-UHFFFAOYSA-N Synonym: 4-n-heptylphenol,phenol, 4-heptyl,p-heptylphenol,heptanyl-p-phenol,p-hydroxyheptylbenzene,phenol, heptyl derivs.,p-n-heptylphenol,unii-i743z35dvb,phenol, heptenylated,p-heptyl phenol PubChem CID: 16143 ChEBI: CHEBI:34438 IUPAC Name: 4-heptylphenol SMILES: CCCCCCCC1=CC=C(C=C1)O
| PubChem CID | 16143 |
|---|---|
| CAS | 1987-50-4 |
| Molecular Weight (g/mol) | 192.302 |
| ChEBI | CHEBI:34438 |
| MDL Number | MFCD00041751 |
| SMILES | CCCCCCCC1=CC=C(C=C1)O |
| Synonym | 4-n-heptylphenol,phenol, 4-heptyl,p-heptylphenol,heptanyl-p-phenol,p-hydroxyheptylbenzene,phenol, heptyl derivs.,p-n-heptylphenol,unii-i743z35dvb,phenol, heptenylated,p-heptyl phenol |
| IUPAC Name | 4-heptylphenol |
| InChI Key | KNDDEFBFJLKPFE-UHFFFAOYSA-N |
| Molecular Formula | C13H20O |
3-Amino-o-cresol 98.0+%, TCI America™
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CAS: 53222-92-7 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 InChI Key: FLROJJGKUKLCAE-UHFFFAOYSA-N Synonym: 3-amino-o-cresol,phenol, 3-amino-2-methyl,2-amino-o-cresol,2-methyl-3-aminophenol,3-hydroxy-2-methylaniline,aminokresol,o-cresol, 3-amino,pubchem15039,2-methyl-3-amino-phenol,3-amino-2-methyl phenol PubChem CID: 104448 IUPAC Name: 3-amino-2-methylphenol SMILES: CC1=C(C=CC=C1O)N
| PubChem CID | 104448 |
|---|---|
| CAS | 53222-92-7 |
| Molecular Weight (g/mol) | 123.155 |
| SMILES | CC1=C(C=CC=C1O)N |
| Synonym | 3-amino-o-cresol,phenol, 3-amino-2-methyl,2-amino-o-cresol,2-methyl-3-aminophenol,3-hydroxy-2-methylaniline,aminokresol,o-cresol, 3-amino,pubchem15039,2-methyl-3-amino-phenol,3-amino-2-methyl phenol |
| IUPAC Name | 3-amino-2-methylphenol |
| InChI Key | FLROJJGKUKLCAE-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
2,4,6-Tribromoaniline 98.0+%, TCI America™
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CAS: 147-82-0 Molecular Formula: C6H4Br3N Molecular Weight (g/mol): 329.82 MDL Number: MFCD00007634 InChI Key: GVPODVKBTHCGFU-UHFFFAOYSA-N Synonym: benzenamine, 2,4,6-tribromo,s-tribromoaniline,2,4,6-tribromophenylamine,2,4,6-tribromobenzenamine,sym-tribromoaniline,aniline tribromide,tribromoaniline,usaf do-43,aniline, 2,4,6-tribromo,2,4,6-tribomoaniline PubChem CID: 8986 IUPAC Name: 2,4,6-tribromoaniline SMILES: NC1=C(Br)C=C(Br)C=C1Br
| PubChem CID | 8986 |
|---|---|
| CAS | 147-82-0 |
| Molecular Weight (g/mol) | 329.82 |
| MDL Number | MFCD00007634 |
| SMILES | NC1=C(Br)C=C(Br)C=C1Br |
| Synonym | benzenamine, 2,4,6-tribromo,s-tribromoaniline,2,4,6-tribromophenylamine,2,4,6-tribromobenzenamine,sym-tribromoaniline,aniline tribromide,tribromoaniline,usaf do-43,aniline, 2,4,6-tribromo,2,4,6-tribomoaniline |
| IUPAC Name | 2,4,6-tribromoaniline |
| InChI Key | GVPODVKBTHCGFU-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br3N |
2-Bromobenzoyl Chloride 98.0+%, TCI America™
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CAS: 7154-66-7 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00000655 InChI Key: NZCKTGCKFJDGFD-UHFFFAOYSA-N Synonym: benzoyl chloride, 2-bromo,o-bromobenzoyl chloride,benzoyl chloride, o-bromo,2-bromo-benzoyl chloride,2-bromobenzoylchloride,2-bromobenzene-1-carbonyl chloride,o-brombenzoylchlorid,bromo benzoylchloride,o-bromobenzoylchloride,pubchem12510 PubChem CID: 23542 IUPAC Name: 2-bromobenzoyl chloride SMILES: C1=CC=C(C(=C1)C(=O)Cl)Br
| PubChem CID | 23542 |
|---|---|
| CAS | 7154-66-7 |
| Molecular Weight (g/mol) | 219.462 |
| MDL Number | MFCD00000655 |
| SMILES | C1=CC=C(C(=C1)C(=O)Cl)Br |
| Synonym | benzoyl chloride, 2-bromo,o-bromobenzoyl chloride,benzoyl chloride, o-bromo,2-bromo-benzoyl chloride,2-bromobenzoylchloride,2-bromobenzene-1-carbonyl chloride,o-brombenzoylchlorid,bromo benzoylchloride,o-bromobenzoylchloride,pubchem12510 |
| IUPAC Name | 2-bromobenzoyl chloride |
| InChI Key | NZCKTGCKFJDGFD-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
Sodium Dimethyl 5-Sulfoisophthalate 98.0+%, TCI America™
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CAS: 3965-55-7 Molecular Formula: C10H9NaO7S Molecular Weight (g/mol): 296.225 MDL Number: MFCD00007493 InChI Key: LLHSEQCZSNZLRI-UHFFFAOYSA-M Synonym: sodium 3,5-bis methoxycarbonyl benzenesulfonate,sodium dimethyl 5-sulphonatoisophthalate,dimethyl 5-sulfoisophthalate sodium salt,unii-7l3g5x9vdu,sodium 1,3-dimethyl 5-sulfoisophthalate,7l3g5x9vdu,5-sulfoisophthalic acid, dimethyl ester, sodium salt,sodium dimethyl 5-sulfoisophthalate,1,3-benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt,3,5-bis-methylkarboxy-benzensulfonan sodny czech PubChem CID: 23675796 IUPAC Name: sodium;3,5-bis(methoxycarbonyl)benzenesulfonate SMILES: COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Na+]
| PubChem CID | 23675796 |
|---|---|
| CAS | 3965-55-7 |
| Molecular Weight (g/mol) | 296.225 |
| MDL Number | MFCD00007493 |
| SMILES | COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Na+] |
| Synonym | sodium 3,5-bis methoxycarbonyl benzenesulfonate,sodium dimethyl 5-sulphonatoisophthalate,dimethyl 5-sulfoisophthalate sodium salt,unii-7l3g5x9vdu,sodium 1,3-dimethyl 5-sulfoisophthalate,7l3g5x9vdu,5-sulfoisophthalic acid, dimethyl ester, sodium salt,sodium dimethyl 5-sulfoisophthalate,1,3-benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt,3,5-bis-methylkarboxy-benzensulfonan sodny czech |
| IUPAC Name | sodium;3,5-bis(methoxycarbonyl)benzenesulfonate |
| InChI Key | LLHSEQCZSNZLRI-UHFFFAOYSA-M |
| Molecular Formula | C10H9NaO7S |
(Trifluoromethyl)tris(triphenylphosphine)copper(I) 98.0+%, TCI America™
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CAS: 325810-07-9 Molecular Formula: C55H45CuF3P3 Molecular Weight (g/mol): 919.427 InChI Key: ADEZRALRKPUAPZ-UHFFFAOYSA-N Synonym: Tris(triphenylphosphine)(trifluoromethyl)copper(I) PubChem CID: 85433410 IUPAC Name: copper(1+);trifluoromethane;triphenylphosphane SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-](F)(F)F.[Cu+]
| PubChem CID | 85433410 |
|---|---|
| CAS | 325810-07-9 |
| Molecular Weight (g/mol) | 919.427 |
| SMILES | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-](F)(F)F.[Cu+] |
| Synonym | Tris(triphenylphosphine)(trifluoromethyl)copper(I) |
| IUPAC Name | copper(1+);trifluoromethane;triphenylphosphane |
| InChI Key | ADEZRALRKPUAPZ-UHFFFAOYSA-N |
| Molecular Formula | C55H45CuF3P3 |
4-(Bromomethyl)-3-fluorobenzonitrile 98.0+%, TCI America™
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CAS: 105942-09-4 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.04 MDL Number: MFCD07368341 InChI Key: ZESZAIOGACKOMB-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-fluorobenzonitrile,4-cyano-2-fluorobenzyl bromide,2-fluoro-4-cyanobenzyl bromide,2-fluoro-4-cyanbenzyl bromide,benzonitrile, 4-bromomethyl-3-fluoro,2-fluoro-4-cyanobenzylbromide,3-fluoro-4-bromomethyl benzonitrile,4-bromomethyl-3-fluoro-benzonitrile,4-bromomethyl-3-fluorobenzenecarbonitrile,pubchem4907 PubChem CID: 2783149 IUPAC Name: 4-(bromomethyl)-3-fluorobenzonitrile SMILES: FC1=C(CBr)C=CC(=C1)C#N
| PubChem CID | 2783149 |
|---|---|
| CAS | 105942-09-4 |
| Molecular Weight (g/mol) | 214.04 |
| MDL Number | MFCD07368341 |
| SMILES | FC1=C(CBr)C=CC(=C1)C#N |
| Synonym | 4-bromomethyl-3-fluorobenzonitrile,4-cyano-2-fluorobenzyl bromide,2-fluoro-4-cyanobenzyl bromide,2-fluoro-4-cyanbenzyl bromide,benzonitrile, 4-bromomethyl-3-fluoro,2-fluoro-4-cyanobenzylbromide,3-fluoro-4-bromomethyl benzonitrile,4-bromomethyl-3-fluoro-benzonitrile,4-bromomethyl-3-fluorobenzenecarbonitrile,pubchem4907 |
| IUPAC Name | 4-(bromomethyl)-3-fluorobenzonitrile |
| InChI Key | ZESZAIOGACKOMB-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrFN |
Benzaldehyde Diethyl Acetal 98.0+%, TCI America™
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CAS: 774-48-1 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.247 MDL Number: MFCD00038525 InChI Key: MAQMEXSLUSZDQM-UHFFFAOYSA-N Synonym: alpha,alpha-Diethoxytoluene PubChem CID: 69884 IUPAC Name: diethoxymethylbenzene SMILES: CCOC(C1=CC=CC=C1)OCC
| PubChem CID | 69884 |
|---|---|
| CAS | 774-48-1 |
| Molecular Weight (g/mol) | 180.247 |
| MDL Number | MFCD00038525 |
| SMILES | CCOC(C1=CC=CC=C1)OCC |
| Synonym | alpha,alpha-Diethoxytoluene |
| IUPAC Name | diethoxymethylbenzene |
| InChI Key | MAQMEXSLUSZDQM-UHFFFAOYSA-N |
| Molecular Formula | C11H16O2 |
2,3-Dicyanohydroquinone 97.0+%, TCI America™
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CAS: 4733-50-0 Molecular Formula: C8H4N2O2 Molecular Weight (g/mol): 160.132 MDL Number: MFCD00001790 InChI Key: MPAIWVOBMLSHQA-UHFFFAOYSA-N Synonym: 2,3-dicyanohydroquinone,3,6-dihydroxyphthalonitrile,2,3-dicyano-p-hydroquinone,3,6-dihydroxyphthalodinitrile,1,2-benzenedicarbonitrile, 3,6-dihydroxy,2,3-dicyanobenzene-1,4-diol,phthalonitrile, 3,6-dihydroxy,dicyanohydroquinone,2,3-dicyanohydroquinme,acmc-1asrw PubChem CID: 78467 IUPAC Name: 3,6-dihydroxybenzene-1,2-dicarbonitrile SMILES: C1=CC(=C(C(=C1O)C#N)C#N)O
| PubChem CID | 78467 |
|---|---|
| CAS | 4733-50-0 |
| Molecular Weight (g/mol) | 160.132 |
| MDL Number | MFCD00001790 |
| SMILES | C1=CC(=C(C(=C1O)C#N)C#N)O |
| Synonym | 2,3-dicyanohydroquinone,3,6-dihydroxyphthalonitrile,2,3-dicyano-p-hydroquinone,3,6-dihydroxyphthalodinitrile,1,2-benzenedicarbonitrile, 3,6-dihydroxy,2,3-dicyanobenzene-1,4-diol,phthalonitrile, 3,6-dihydroxy,dicyanohydroquinone,2,3-dicyanohydroquinme,acmc-1asrw |
| IUPAC Name | 3,6-dihydroxybenzene-1,2-dicarbonitrile |
| InChI Key | MPAIWVOBMLSHQA-UHFFFAOYSA-N |
| Molecular Formula | C8H4N2O2 |
[Bis(trifluoroacetoxy)iodo]pentafluorobenzene 97.0+%, TCI America™
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CAS: 14353-88-9 Molecular Formula: C10F11IO4 Molecular Weight (g/mol): 519.99 MDL Number: MFCD00191612 InChI Key: OQWAXRPJEPTTSZ-UHFFFAOYSA-N Synonym: Pentafluoro[bis(trifluoroacetoxy)iodo]benzene PubChem CID: 626316 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate SMILES: FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F
| PubChem CID | 626316 |
|---|---|
| CAS | 14353-88-9 |
| Molecular Weight (g/mol) | 519.99 |
| MDL Number | MFCD00191612 |
| SMILES | FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F |
| Synonym | Pentafluoro[bis(trifluoroacetoxy)iodo]benzene |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate |
| InChI Key | OQWAXRPJEPTTSZ-UHFFFAOYSA-N |
| Molecular Formula | C10F11IO4 |
1-Bromo-2-naphthoic Acid 98.0+%, TCI America™
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CAS: 20717-79-7 Molecular Formula: C11H7BrO2 Molecular Weight (g/mol): 251.079 MDL Number: MFCD00021408 InChI Key: VUVIRKAVBZITDO-UHFFFAOYSA-N Synonym: 1-bromo-2-naphthoic acid,1-bromo-2-naphthalenecarboxylic acid,2-naphthalenecarboxylic acid, 1-bromo,maybridge4_002377,1-bromo-2-naphthoicacid,1-bromo-2-napthoic acid,1-bromo-2-naphtoic acid,acmc-1ck28,2-?naphthalenecarboxyli?c acid,2-naphthalenecarboxylicacid,1-bromo PubChem CID: 88665 IUPAC Name: 1-bromonaphthalene-2-carboxylic acid SMILES: C1=CC=C2C(=C1)C=CC(=C2Br)C(=O)O
| PubChem CID | 88665 |
|---|---|
| CAS | 20717-79-7 |
| Molecular Weight (g/mol) | 251.079 |
| MDL Number | MFCD00021408 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2Br)C(=O)O |
| Synonym | 1-bromo-2-naphthoic acid,1-bromo-2-naphthalenecarboxylic acid,2-naphthalenecarboxylic acid, 1-bromo,maybridge4_002377,1-bromo-2-naphthoicacid,1-bromo-2-napthoic acid,1-bromo-2-naphtoic acid,acmc-1ck28,2-?naphthalenecarboxyli?c acid,2-naphthalenecarboxylicacid,1-bromo |
| IUPAC Name | 1-bromonaphthalene-2-carboxylic acid |
| InChI Key | VUVIRKAVBZITDO-UHFFFAOYSA-N |
| Molecular Formula | C11H7BrO2 |
2-Chloro-5-iodobenzonitrile 98.0+%, TCI America™
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CAS: 289039-29-8 Molecular Formula: C7H3ClIN Molecular Weight (g/mol): 263.46 MDL Number: MFCD00672973 InChI Key: RXNOBNYCCAEGJD-UHFFFAOYSA-N PubChem CID: 24721573 IUPAC Name: 2-chloro-5-iodobenzonitrile SMILES: ClC1=C(C=C(I)C=C1)C#N
| PubChem CID | 24721573 |
|---|---|
| CAS | 289039-29-8 |
| Molecular Weight (g/mol) | 263.46 |
| MDL Number | MFCD00672973 |
| SMILES | ClC1=C(C=C(I)C=C1)C#N |
| IUPAC Name | 2-chloro-5-iodobenzonitrile |
| InChI Key | RXNOBNYCCAEGJD-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClIN |
1-Benzyl-3-pyrrolidinol 96.0+%, TCI America™
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CAS: 775-15-5 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD00012132 InChI Key: YQMXOIAIYXXXEE-UHFFFAOYSA-N PubChem CID: 69889 IUPAC Name: 1-benzylpyrrolidin-3-ol SMILES: C1CN(CC1O)CC2=CC=CC=C2
| PubChem CID | 69889 |
|---|---|
| CAS | 775-15-5 |
| Molecular Weight (g/mol) | 177.247 |
| MDL Number | MFCD00012132 |
| SMILES | C1CN(CC1O)CC2=CC=CC=C2 |
| IUPAC Name | 1-benzylpyrrolidin-3-ol |
| InChI Key | YQMXOIAIYXXXEE-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO |
2,2'-Bis(hydroxymethyl)diphenyl Ether 98.0+%, TCI America™
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CAS: 10038-40-1 Molecular Formula: C14H14O3 Molecular Weight (g/mol): 230.263 MDL Number: MFCD00191613 InChI Key: VRVKKKKXKVCPEW-UHFFFAOYSA-N PubChem CID: 611393 IUPAC Name: [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol SMILES: C1=CC=C(C(=C1)CO)OC2=CC=CC=C2CO
| PubChem CID | 611393 |
|---|---|
| CAS | 10038-40-1 |
| Molecular Weight (g/mol) | 230.263 |
| MDL Number | MFCD00191613 |
| SMILES | C1=CC=C(C(=C1)CO)OC2=CC=CC=C2CO |
| IUPAC Name | [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol |
| InChI Key | VRVKKKKXKVCPEW-UHFFFAOYSA-N |
| Molecular Formula | C14H14O3 |