Benzenoids
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4,5-Dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, ACS
CAS: 5808-22-0 Molecular Formula: C10H10Na2O10S2 Molecular Weight (g/mol): 400.28 MDL Number: MFCD00150612 InChI Key: QUEAKWJKJBFNEG-UHFFFAOYSA-L Synonym: chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g PubChem CID: 124202444 IUPAC Name: 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate SMILES: O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
| PubChem CID | 124202444 |
|---|---|
| CAS | 5808-22-0 |
| Molecular Weight (g/mol) | 400.28 |
| MDL Number | MFCD00150612 |
| SMILES | O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na] |
| Synonym | chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g |
| IUPAC Name | 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate |
| InChI Key | QUEAKWJKJBFNEG-UHFFFAOYSA-L |
| Molecular Formula | C10H10Na2O10S2 |
Naphthalene-1,4-dicarboxylic acid, 98+%
CAS: 605-70-9 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.19 MDL Number: MFCD00014312 InChI Key: ABMFBCRYHDZLRD-UHFFFAOYSA-N Synonym: 1,4-naphthalenedicarboxylic acid,1,4-naphthalenedicarboxylicacid,1,4-naphthalicacid,1,4-naphthalic acid,pubchem21317,acmc-1b0c7,ksc357a6b,naphthalene-1,4-dicarboxylicacid,naphthalene-1,4-dicarboxlic acid,naphthaline-1,4-dicarboxylic acid PubChem CID: 69065 IUPAC Name: naphthalene-1,4-dicarboxylic acid SMILES: OC(=O)C1=C2C=CC=CC2=C(C=C1)C(O)=O
| PubChem CID | 69065 |
|---|---|
| CAS | 605-70-9 |
| Molecular Weight (g/mol) | 216.19 |
| MDL Number | MFCD00014312 |
| SMILES | OC(=O)C1=C2C=CC=CC2=C(C=C1)C(O)=O |
| Synonym | 1,4-naphthalenedicarboxylic acid,1,4-naphthalenedicarboxylicacid,1,4-naphthalicacid,1,4-naphthalic acid,pubchem21317,acmc-1b0c7,ksc357a6b,naphthalene-1,4-dicarboxylicacid,naphthalene-1,4-dicarboxlic acid,naphthaline-1,4-dicarboxylic acid |
| IUPAC Name | naphthalene-1,4-dicarboxylic acid |
| InChI Key | ABMFBCRYHDZLRD-UHFFFAOYSA-N |
| Molecular Formula | C12H8O4 |
2-Naphthalenesulfonic acid hydrate, 90%, Technical
CAS: 76530-12-6 Molecular Formula: C10H8O3S Molecular Weight (g/mol): 208.23 MDL Number: MFCD00149271 InChI Key: KVBGVZZKJNLNJU-UHFFFAOYSA-N Synonym: naphthalene-2-sulfonic acid hydrate,2-naphthalenesulfonic acid hydrate,2-naphthalenesulfonic acid monohydrate,2-naphthalenesulfonicacid, hydrate 1:1,kyselina2-naftalensulfonova,acmc-20aj4s,ksc352o8d,c10h8so3.h2o,2-naphthalene-sulfonic acid monohydrate,naphthalene-2-sulphonic acid monohydrate PubChem CID: 20499058 IUPAC Name: naphthalene-2-sulfonic acid;hydrate SMILES: OS(=O)(=O)C1=CC=C2C=CC=CC2=C1
| PubChem CID | 20499058 |
|---|---|
| CAS | 76530-12-6 |
| Molecular Weight (g/mol) | 208.23 |
| MDL Number | MFCD00149271 |
| SMILES | OS(=O)(=O)C1=CC=C2C=CC=CC2=C1 |
| Synonym | naphthalene-2-sulfonic acid hydrate,2-naphthalenesulfonic acid hydrate,2-naphthalenesulfonic acid monohydrate,2-naphthalenesulfonicacid, hydrate 1:1,kyselina2-naftalensulfonova,acmc-20aj4s,ksc352o8d,c10h8so3.h2o,2-naphthalene-sulfonic acid monohydrate,naphthalene-2-sulphonic acid monohydrate |
| IUPAC Name | naphthalene-2-sulfonic acid;hydrate |
| InChI Key | KVBGVZZKJNLNJU-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3S |
(4-Thien-3-ylphenyl)methanol, ≥97%, Thermo Scientific™
CAS: 160278-20-6 Molecular Formula: C11H10OS Molecular Weight (g/mol): 190.26 MDL Number: MFCD06203084 InChI Key: KEHJEXSFOWCTHM-UHFFFAOYSA-N PubChem CID: 15186379 IUPAC Name: (4-thiophen-3-ylphenyl)methanol SMILES: C1=CC(=CC=C1CO)C2=CSC=C2
| PubChem CID | 15186379 |
|---|---|
| CAS | 160278-20-6 |
| Molecular Weight (g/mol) | 190.26 |
| MDL Number | MFCD06203084 |
| SMILES | C1=CC(=CC=C1CO)C2=CSC=C2 |
| IUPAC Name | (4-thiophen-3-ylphenyl)methanol |
| InChI Key | KEHJEXSFOWCTHM-UHFFFAOYSA-N |
| Molecular Formula | C11H10OS |
1,3-Dihydroxynaphthalene, 99+%
CAS: 132-86-5 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 InChI Key: XOOMNEFVDUTJPP-UHFFFAOYSA-N Synonym: 1,3-naphthalenediol,1,3-dihydroxynaphthalene,naphthoresorcinol,naphthoresoucinol,3-hydroxybenzocyclohexadien-1-one,naphthoresorcin,ccris 7896,unii-5x457yew8y,acmc-1bvwb,naphthalenediol-1,3 PubChem CID: 8601 IUPAC Name: naphthalene-1,3-diol SMILES: C1=CC=C2C(=C1)C=C(C=C2O)O
| PubChem CID | 8601 |
|---|---|
| CAS | 132-86-5 |
| Molecular Weight (g/mol) | 160.17 |
| SMILES | C1=CC=C2C(=C1)C=C(C=C2O)O |
| Synonym | 1,3-naphthalenediol,1,3-dihydroxynaphthalene,naphthoresorcinol,naphthoresoucinol,3-hydroxybenzocyclohexadien-1-one,naphthoresorcin,ccris 7896,unii-5x457yew8y,acmc-1bvwb,naphthalenediol-1,3 |
| IUPAC Name | naphthalene-1,3-diol |
| InChI Key | XOOMNEFVDUTJPP-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
1,1'-Bi-2-naphthol, 99%
CAS: 602-09-5 Molecular Formula: C20H14O2 Molecular Weight (g/mol): 286.32 MDL Number: MFCD00004068 InChI Key: PPTXVXKCQZKFBN-UHFFFAOYSA-N Synonym: 1,1'-bi-2-naphthol,s---1,1'-bi-2-naphthol,r-+-1,1'-bi-2-naphthol,1,1'-binaphthalene-2,2'-diol,binol,1,1'-binaphthyl-2,2'-diol,2,2'-dinaphthol,beta-binaphthol,r-1,1'-bi-2-naphthol,s-1,1'-binaphthalene-2,2'-diol PubChem CID: 11762 IUPAC Name: 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O
| PubChem CID | 11762 |
|---|---|
| CAS | 602-09-5 |
| Molecular Weight (g/mol) | 286.32 |
| MDL Number | MFCD00004068 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O |
| Synonym | 1,1'-bi-2-naphthol,s---1,1'-bi-2-naphthol,r-+-1,1'-bi-2-naphthol,1,1'-binaphthalene-2,2'-diol,binol,1,1'-binaphthyl-2,2'-diol,2,2'-dinaphthol,beta-binaphthol,r-1,1'-bi-2-naphthol,s-1,1'-binaphthalene-2,2'-diol |
| IUPAC Name | 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol |
| InChI Key | PPTXVXKCQZKFBN-UHFFFAOYSA-N |
| Molecular Formula | C20H14O2 |
2-Benzyloxy-2-methyl-1-propanol, 95%, Thermo Scientific Chemicals
CAS: 91968-71-7 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.25 MDL Number: MFCD08459314 InChI Key: FRHJVAJQSPVSKV-UHFFFAOYSA-N Synonym: 2-benzyloxy-2-methylpropan-1-ol,2-benzyloxy-2-methyl-1-propanol,2-methyl-2-phenylmethoxy propan-1-ol PubChem CID: 42552903 IUPAC Name: 2-methyl-2-phenylmethoxypropan-1-ol SMILES: CC(C)(CO)OCC1=CC=CC=C1
| PubChem CID | 42552903 |
|---|---|
| CAS | 91968-71-7 |
| Molecular Weight (g/mol) | 180.25 |
| MDL Number | MFCD08459314 |
| SMILES | CC(C)(CO)OCC1=CC=CC=C1 |
| Synonym | 2-benzyloxy-2-methylpropan-1-ol,2-benzyloxy-2-methyl-1-propanol,2-methyl-2-phenylmethoxy propan-1-ol |
| IUPAC Name | 2-methyl-2-phenylmethoxypropan-1-ol |
| InChI Key | FRHJVAJQSPVSKV-UHFFFAOYSA-N |
| Molecular Formula | C11H16O2 |
2,3,5,6-Tetrafluorobenzyl alcohol, 98%
CAS: 4084-38-2 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD00792428 InChI Key: AGWVQASYTKCTCC-UHFFFAOYSA-N PubChem CID: 2734029 IUPAC Name: (2,3,5,6-tetrafluorophenyl)methanol SMILES: OCC1=C(F)C(F)=CC(F)=C1F
| PubChem CID | 2734029 |
|---|---|
| CAS | 4084-38-2 |
| Molecular Weight (g/mol) | 180.10 |
| MDL Number | MFCD00792428 |
| SMILES | OCC1=C(F)C(F)=CC(F)=C1F |
| IUPAC Name | (2,3,5,6-tetrafluorophenyl)methanol |
| InChI Key | AGWVQASYTKCTCC-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |
4-Bromo-3-fluorobenzyl alcohol, 96%
CAS: 222978-01-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD08236860 InChI Key: VQDUFYPJCUBGQW-UHFFFAOYSA-N Synonym: 4-bromo-3-fluorophenyl methanol,4-bromo-3-fluorobenzyl alcohol,4-bromo-3-fluorobenzenemethanol,benzenemethanol, 4-bromo-3-fluoro,4-bromo-3-fluoro-phenyl-methanol,benzenemethanol,4-bromo-3-fluoro,acmc-1cr86,ksc549c4b,3-fluoro-4-bromo benzylalcohol,3-fluoro-4-bromobenzyl alcohol PubChem CID: 20682297 IUPAC Name: (4-bromo-3-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1CO)F)Br
| PubChem CID | 20682297 |
|---|---|
| CAS | 222978-01-0 |
| Molecular Weight (g/mol) | 205.026 |
| MDL Number | MFCD08236860 |
| SMILES | C1=CC(=C(C=C1CO)F)Br |
| Synonym | 4-bromo-3-fluorophenyl methanol,4-bromo-3-fluorobenzyl alcohol,4-bromo-3-fluorobenzenemethanol,benzenemethanol, 4-bromo-3-fluoro,4-bromo-3-fluoro-phenyl-methanol,benzenemethanol,4-bromo-3-fluoro,acmc-1cr86,ksc549c4b,3-fluoro-4-bromo benzylalcohol,3-fluoro-4-bromobenzyl alcohol |
| IUPAC Name | (4-bromo-3-fluorophenyl)methanol |
| InChI Key | VQDUFYPJCUBGQW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
2-Methoxybenzyl alcohol, 99%
CAS: 612-16-8 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004611 InChI Key: WYLYBQSHRJMURN-UHFFFAOYSA-N Synonym: 2-methoxybenzyl alcohol,2-methoxyphenyl methanol,o-methoxybenzyl alcohol,benzenemethanol, 2-methoxy,o-anisyl alcohol,2-methoxybenzylalcohol,2-methoxybenzenemethanol,unii-457nq8ngcg,457nq8ngcg,2-methoxyphenyl methan-1-ol PubChem CID: 69154 IUPAC Name: (2-methoxyphenyl)methanol SMILES: COC1=CC=CC=C1CO
| PubChem CID | 69154 |
|---|---|
| CAS | 612-16-8 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00004611 |
| SMILES | COC1=CC=CC=C1CO |
| Synonym | 2-methoxybenzyl alcohol,2-methoxyphenyl methanol,o-methoxybenzyl alcohol,benzenemethanol, 2-methoxy,o-anisyl alcohol,2-methoxybenzylalcohol,2-methoxybenzenemethanol,unii-457nq8ngcg,457nq8ngcg,2-methoxyphenyl methan-1-ol |
| IUPAC Name | (2-methoxyphenyl)methanol |
| InChI Key | WYLYBQSHRJMURN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
3-Hydroxybenzyl Alcohol, 97%
CAS: 620-24-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00004643 InChI Key: OKVJCVWFVRATSG-UHFFFAOYSA-N Synonym: 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol PubChem CID: 102 ChEBI: CHEBI:17069 IUPAC Name: 3-(hydroxymethyl)phenol SMILES: C1=CC(=CC(=C1)O)CO
| PubChem CID | 102 |
|---|---|
| CAS | 620-24-6 |
| Molecular Weight (g/mol) | 124.14 |
| ChEBI | CHEBI:17069 |
| MDL Number | MFCD00004643 |
| SMILES | C1=CC(=CC(=C1)O)CO |
| Synonym | 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol |
| IUPAC Name | 3-(hydroxymethyl)phenol |
| InChI Key | OKVJCVWFVRATSG-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
p-Toluenesulfonylacetic acid, 98%
CAS: 3937-96-0 Molecular Formula: C9H10O4S Molecular Weight (g/mol): 214.235 MDL Number: MFCD00021764 InChI Key: AQDHXMBUTDLAMD-UHFFFAOYSA-N Synonym: 2-tosylacetic acid,4-toluenesulfonylacetic acid,4-methylphenyl sulfonyl acetic acid,2-p-toluenesulfonyl acetic acid,tosylacetic acid,unii-yid78nf77o,p-toluenesulphonylacetic acid,4-toluenesulphonylacetic acid,p-toluenesulfonylacetic acid,yid78nf77o PubChem CID: 77538 IUPAC Name: 2-(4-methylphenyl)sulfonylacetic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O
| PubChem CID | 77538 |
|---|---|
| CAS | 3937-96-0 |
| Molecular Weight (g/mol) | 214.235 |
| MDL Number | MFCD00021764 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O |
| Synonym | 2-tosylacetic acid,4-toluenesulfonylacetic acid,4-methylphenyl sulfonyl acetic acid,2-p-toluenesulfonyl acetic acid,tosylacetic acid,unii-yid78nf77o,p-toluenesulphonylacetic acid,4-toluenesulphonylacetic acid,p-toluenesulfonylacetic acid,yid78nf77o |
| IUPAC Name | 2-(4-methylphenyl)sulfonylacetic acid |
| InChI Key | AQDHXMBUTDLAMD-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4S |
alpha,2-Dimethylstyrene, 99%
CAS: 26444-18-8 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00049092 InChI Key: OGMSGZZPTQNTIK-UHFFFAOYSA-N Synonym: 2-isopropenyltoluene,o-isopropenyltoluene,1-methyl-2-prop-1-en-2-yl benzene,o,alpha-dimethylstyrene,alpha,2-dimethylstyrene,isopropenyltoluene,o,.alpha.-dimethylstyrene,benzene, 1-methyl-2-1-methylethenyl,o-methyl-.alpha.-methylstyrene,1-methyl-2-iso-propenylbenzene PubChem CID: 81886 IUPAC Name: 1-methyl-2-prop-1-en-2-ylbenzene SMILES: CC1=CC=CC=C1C(=C)C
| PubChem CID | 81886 |
|---|---|
| CAS | 26444-18-8 |
| Molecular Weight (g/mol) | 132.206 |
| MDL Number | MFCD00049092 |
| SMILES | CC1=CC=CC=C1C(=C)C |
| Synonym | 2-isopropenyltoluene,o-isopropenyltoluene,1-methyl-2-prop-1-en-2-yl benzene,o,alpha-dimethylstyrene,alpha,2-dimethylstyrene,isopropenyltoluene,o,.alpha.-dimethylstyrene,benzene, 1-methyl-2-1-methylethenyl,o-methyl-.alpha.-methylstyrene,1-methyl-2-iso-propenylbenzene |
| IUPAC Name | 1-methyl-2-prop-1-en-2-ylbenzene |
| InChI Key | OGMSGZZPTQNTIK-UHFFFAOYSA-N |
| Molecular Formula | C10H12 |
4-Fluoro-alpha-methylstyrene, 95%
CAS: 350-40-3 Molecular Formula: C9H9F Molecular Weight (g/mol): 136.169 MDL Number: MFCD00042297 InChI Key: VIXHMBLBLJSGIB-UHFFFAOYSA-N Synonym: 4-fluoro-alpha-methylstyrene,1-fluoro-4-1-methylethenyl benzene,1-fluoro-4-prop-1-en-2-yl benzene,2-4-fluorophenyl-1-propene,2-4-fluorophenyl propene,benzene, 1-fluoro-4-1-methylethenyl,4-fluoro-.alpha.-methylstyrene,1-fluoro-4-isopropenyl benzene,1-fluoro-4-isopropenylbenzene,p-fluoro-.alpha.-methylstyrene PubChem CID: 67690 IUPAC Name: 1-fluoro-4-prop-1-en-2-ylbenzene SMILES: CC(=C)C1=CC=C(C=C1)F
| PubChem CID | 67690 |
|---|---|
| CAS | 350-40-3 |
| Molecular Weight (g/mol) | 136.169 |
| MDL Number | MFCD00042297 |
| SMILES | CC(=C)C1=CC=C(C=C1)F |
| Synonym | 4-fluoro-alpha-methylstyrene,1-fluoro-4-1-methylethenyl benzene,1-fluoro-4-prop-1-en-2-yl benzene,2-4-fluorophenyl-1-propene,2-4-fluorophenyl propene,benzene, 1-fluoro-4-1-methylethenyl,4-fluoro-.alpha.-methylstyrene,1-fluoro-4-isopropenyl benzene,1-fluoro-4-isopropenylbenzene,p-fluoro-.alpha.-methylstyrene |
| IUPAC Name | 1-fluoro-4-prop-1-en-2-ylbenzene |
| InChI Key | VIXHMBLBLJSGIB-UHFFFAOYSA-N |
| Molecular Formula | C9H9F |
4-Hydroxy-1-indanone, 97%, Thermo Scientific™
CAS: 40731-98-4 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00143330 InChI Key: CKSCMRNFDBWFND-UHFFFAOYSA-N Synonym: 4-hydroxy-1-indanone,4-hydroxyindan-1-one,4-hydroxyindanone,4-hydroxy-indan-1-one,4-hydroxy-2,3-dihydro-1h-inden-1-one,2,3-dihydro-4-hydroxyinden-1-one,1h-inden-1-one, 2,3-dihydro-4-hydroxy,2,3-dihydro-4-hydroxy-1h-inden-1-one,4-hydroxy-indanone,pubchem9659 PubChem CID: 590547 IUPAC Name: 4-hydroxy-2,3-dihydroinden-1-one SMILES: OC1=CC=CC2=C1CCC2=O
| PubChem CID | 590547 |
|---|---|
| CAS | 40731-98-4 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00143330 |
| SMILES | OC1=CC=CC2=C1CCC2=O |
| Synonym | 4-hydroxy-1-indanone,4-hydroxyindan-1-one,4-hydroxyindanone,4-hydroxy-indan-1-one,4-hydroxy-2,3-dihydro-1h-inden-1-one,2,3-dihydro-4-hydroxyinden-1-one,1h-inden-1-one, 2,3-dihydro-4-hydroxy,2,3-dihydro-4-hydroxy-1h-inden-1-one,4-hydroxy-indanone,pubchem9659 |
| IUPAC Name | 4-hydroxy-2,3-dihydroinden-1-one |
| InChI Key | CKSCMRNFDBWFND-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |