Benzenoids
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N-(6-Aminohexyl)-1-naphthalenesulfonamide Hydrochloride 98.0+%, TCI America™
CAS: 61714-25-8 Molecular Formula: C16H23ClN2O2S Molecular Weight (g/mol): 342.88 MDL Number: MFCD00058043 InChI Key: HOCSVIGHWPLMFC-UHFFFAOYSA-N Synonym: w-5 hydrochloride,n-6-aminohexyl-1-naphthalenesulfonamide hydrochloride,w-5, hydrochloride,n-6-aminohexyl naphthalene-1-sulfonamide hydrochloride,n-6-aminohexyl-1-naphthalenesulphonamide hydrochloride,n-6-aminohexyl-1-naphthalenesulfonamide hcl,n-6-aminohexyl-1-naphthalenesulfonamide, hcl,acmc-209mvm,n-6-aminohexyl-1-naphthalenesulfonamide monohydrochlorde,1-naphthalenesulfonamide, n-6-aminohexyl-, monohydrochlorde PubChem CID: 173829 IUPAC Name: hydrogen N-(6-aminohexyl)naphthalene-1-sulfonamide chloride SMILES: [H+].[Cl-].NCCCCCCNS(=O)(=O)C1=C2C=CC=CC2=CC=C1
| PubChem CID | 173829 |
|---|---|
| CAS | 61714-25-8 |
| Molecular Weight (g/mol) | 342.88 |
| MDL Number | MFCD00058043 |
| SMILES | [H+].[Cl-].NCCCCCCNS(=O)(=O)C1=C2C=CC=CC2=CC=C1 |
| Synonym | w-5 hydrochloride,n-6-aminohexyl-1-naphthalenesulfonamide hydrochloride,w-5, hydrochloride,n-6-aminohexyl naphthalene-1-sulfonamide hydrochloride,n-6-aminohexyl-1-naphthalenesulphonamide hydrochloride,n-6-aminohexyl-1-naphthalenesulfonamide hcl,n-6-aminohexyl-1-naphthalenesulfonamide, hcl,acmc-209mvm,n-6-aminohexyl-1-naphthalenesulfonamide monohydrochlorde,1-naphthalenesulfonamide, n-6-aminohexyl-, monohydrochlorde |
| IUPAC Name | hydrogen N-(6-aminohexyl)naphthalene-1-sulfonamide chloride |
| InChI Key | HOCSVIGHWPLMFC-UHFFFAOYSA-N |
| Molecular Formula | C16H23ClN2O2S |
Anthraquinone-2-carboxylic Acid 99.0+%, TCI America™
CAS: 117-78-2 Molecular Formula: C15H8O4 Molecular Weight (g/mol): 252.225 MDL Number: MFCD00001231 InChI Key: ASDLSKCKYGVMAI-UHFFFAOYSA-N Synonym: anthraquinone-2-carboxylic acid,9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid,2-carboxyanthraquinone,2-anthraquinonecarboxylic acid,2-carboxyl-9,10-anthraquinone,anthraquinone-2-carboxylate,9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid,9,10-anthraquinone 2-carboxylic acid,.beta.-anthraquinonecarboxylic acid,anthraquinone-.beta.-carboxylic acid PubChem CID: 67030 IUPAC Name: 9,10-dioxoanthracene-2-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
| PubChem CID | 67030 |
|---|---|
| CAS | 117-78-2 |
| Molecular Weight (g/mol) | 252.225 |
| MDL Number | MFCD00001231 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
| Synonym | anthraquinone-2-carboxylic acid,9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid,2-carboxyanthraquinone,2-anthraquinonecarboxylic acid,2-carboxyl-9,10-anthraquinone,anthraquinone-2-carboxylate,9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid,9,10-anthraquinone 2-carboxylic acid,.beta.-anthraquinonecarboxylic acid,anthraquinone-.beta.-carboxylic acid |
| IUPAC Name | 9,10-dioxoanthracene-2-carboxylic acid |
| InChI Key | ASDLSKCKYGVMAI-UHFFFAOYSA-N |
| Molecular Formula | C15H8O4 |
Sodium 1-Naphthol-4-sulfonate 85.0+%, TCI America™
CAS: 6099-57-6 Molecular Formula: C10H7NaO4S Molecular Weight (g/mol): 246.212 MDL Number: MFCD00021518 InChI Key: IAAKNVCARVEIFS-UHFFFAOYSA-M Synonym: 1-naphthol-4-sulfonic acid sodium salt,sodium naphthol sulfonate,sodium 1-naphthol-4-sulfonate,sodium 4-hydroxynaphthalene-1-sulfonate,4-hydroxy-1-naphthalenesulfonic acid monosodium salt,sodium 4-hydroxy-1-naphthalenesulfonate,1-naphthalenesulfonic acid, 4-hydroxy-, monosodium salt,1-naphthalenesulfonic acid, 4-hydroxy-, sodium salt 1:1,4-hydroxy-1-naphthalenesulfonic acid sodium salt,84-87-7 parent PubChem CID: 4626046 IUPAC Name: sodium;4-hydroxynaphthalene-1-sulfonate SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O.[Na+]
| PubChem CID | 4626046 |
|---|---|
| CAS | 6099-57-6 |
| Molecular Weight (g/mol) | 246.212 |
| MDL Number | MFCD00021518 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O.[Na+] |
| Synonym | 1-naphthol-4-sulfonic acid sodium salt,sodium naphthol sulfonate,sodium 1-naphthol-4-sulfonate,sodium 4-hydroxynaphthalene-1-sulfonate,4-hydroxy-1-naphthalenesulfonic acid monosodium salt,sodium 4-hydroxy-1-naphthalenesulfonate,1-naphthalenesulfonic acid, 4-hydroxy-, monosodium salt,1-naphthalenesulfonic acid, 4-hydroxy-, sodium salt 1:1,4-hydroxy-1-naphthalenesulfonic acid sodium salt,84-87-7 parent |
| IUPAC Name | sodium;4-hydroxynaphthalene-1-sulfonate |
| InChI Key | IAAKNVCARVEIFS-UHFFFAOYSA-M |
| Molecular Formula | C10H7NaO4S |
| PubChem CID | 4349738 |
|---|---|
| CAS | 173194-95-1 |
| Molecular Weight (g/mol) | 187.989 |
| MDL Number | MFCD00092986 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC2=C(C=C1)C=C(C=C2)O)(O)O |
| TSCA | No |
| IUPAC Name | (6-hydroxynaphthalen-2-yl)boronic acid |
| InChI Key | SNJANQMHRGSHFN-UHFFFAOYSA-N |
| Molecular Formula | C10H9BO3 |
| Formula Weight | 187.99 |
| Melting Point | 224°C |
1,5-Dinitronaphthalene 98.0+%, TCI America™
CAS: 605-71-0 Molecular Formula: C10H6N2O4 Molecular Weight (g/mol): 218.168 MDL Number: MFCD00003916 InChI Key: ZUTCJXFCHHDFJS-UHFFFAOYSA-N Synonym: naphthalene, 1,5-dinitro,naphthalene, dinitro,unii-ui2s14iw4t,ccris 6028,ui2s14iw4t,napththalene, 1,5-dinitro,1,5 or 1,8-dinitronaphthalene,acmc-1bixi,1,5-dinitro naphthalene,1,5-dinitro-naphthalene PubChem CID: 11803 ChEBI: CHEBI:50640 IUPAC Name: 1,5-dinitronaphthalene SMILES: C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)[N+](=O)[O-]
| PubChem CID | 11803 |
|---|---|
| CAS | 605-71-0 |
| Molecular Weight (g/mol) | 218.168 |
| ChEBI | CHEBI:50640 |
| MDL Number | MFCD00003916 |
| SMILES | C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)[N+](=O)[O-] |
| Synonym | naphthalene, 1,5-dinitro,naphthalene, dinitro,unii-ui2s14iw4t,ccris 6028,ui2s14iw4t,napththalene, 1,5-dinitro,1,5 or 1,8-dinitronaphthalene,acmc-1bixi,1,5-dinitro naphthalene,1,5-dinitro-naphthalene |
| IUPAC Name | 1,5-dinitronaphthalene |
| InChI Key | ZUTCJXFCHHDFJS-UHFFFAOYSA-N |
| Molecular Formula | C10H6N2O4 |
Dodecyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 2664-60-0 Molecular Formula: C19H30O3 Molecular Weight (g/mol): 306.446 MDL Number: MFCD00016473 InChI Key: BAYSQTBAJQRACX-UHFFFAOYSA-N Synonym: dodecyl p-hydroxybenzoate,dodecylparaben,n-dodecyl 4-hydroxybenzoate,p-hydroxybenzoic acid dodecyl ester,benzoic acid, 4-hydroxy-, dodecyl ester,p-oxybenzoesaureduodecylester,benzoic acid, p-hydroxy-, dodecyl ester,p-oxybenzoesaureduodecylester german,4-hydroxybenzoic acid dodecyl ester,laurylparaben PubChem CID: 17569 IUPAC Name: dodecyl 4-hydroxybenzoate SMILES: CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 17569 |
|---|---|
| CAS | 2664-60-0 |
| Molecular Weight (g/mol) | 306.446 |
| MDL Number | MFCD00016473 |
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | dodecyl p-hydroxybenzoate,dodecylparaben,n-dodecyl 4-hydroxybenzoate,p-hydroxybenzoic acid dodecyl ester,benzoic acid, 4-hydroxy-, dodecyl ester,p-oxybenzoesaureduodecylester,benzoic acid, p-hydroxy-, dodecyl ester,p-oxybenzoesaureduodecylester german,4-hydroxybenzoic acid dodecyl ester,laurylparaben |
| IUPAC Name | dodecyl 4-hydroxybenzoate |
| InChI Key | BAYSQTBAJQRACX-UHFFFAOYSA-N |
| Molecular Formula | C19H30O3 |
Butyl Salicylate 99.0+%, TCI America™
CAS: 2052-14-4 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020038 InChI Key: YFDUWSBGVPBWKF-UHFFFAOYSA-N Synonym: Salicylic Acid Butyl Ester, 2-Hydroxybenzoic Acid Butyl Ester, Butyl 2-Hydroxybenzoate PubChem CID: 16330 IUPAC Name: butyl 2-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=CC=C1O
| PubChem CID | 16330 |
|---|---|
| CAS | 2052-14-4 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00020038 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1O |
| Synonym | Salicylic Acid Butyl Ester, 2-Hydroxybenzoic Acid Butyl Ester, Butyl 2-Hydroxybenzoate |
| IUPAC Name | butyl 2-hydroxybenzoate |
| InChI Key | YFDUWSBGVPBWKF-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Methyl 5-Formylsalicylate 98.0+%, TCI America™
CAS: 41489-76-3 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD03840784 InChI Key: XJKWVPNWHOCFBR-UHFFFAOYSA-N Synonym: 5-Formylsalicylic Acid Methyl Ester, Methyl 5-Formyl-2-hydroxybenzoate, 5-Formyl-2-hydroxybenzoic Acid Methyl Ester PubChem CID: 14363598 IUPAC Name: methyl 5-formyl-2-hydroxybenzoate SMILES: COC(=O)C1=C(O)C=CC(C=O)=C1
| PubChem CID | 14363598 |
|---|---|
| CAS | 41489-76-3 |
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD03840784 |
| SMILES | COC(=O)C1=C(O)C=CC(C=O)=C1 |
| Synonym | 5-Formylsalicylic Acid Methyl Ester, Methyl 5-Formyl-2-hydroxybenzoate, 5-Formyl-2-hydroxybenzoic Acid Methyl Ester |
| IUPAC Name | methyl 5-formyl-2-hydroxybenzoate |
| InChI Key | XJKWVPNWHOCFBR-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
Methyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002352 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N Synonym: methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m PubChem CID: 7456 ChEBI: CHEBI:31835 IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7456 |
|---|---|
| CAS | 99-76-3 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:31835 |
| MDL Number | MFCD00002352 |
| SMILES | COC(=O)C1=CC=C(C=C1)O |
| Synonym | methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m |
| IUPAC Name | methyl 4-hydroxybenzoate |
| InChI Key | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Heptyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 1085-12-7 Molecular Formula: C14H20O3 Molecular Weight (g/mol): 236.31 MDL Number: MFCD00016481 InChI Key: ZTJORNVITHUQJA-UHFFFAOYSA-N Synonym: heptylparaben,heptyl paraben,heptyl p-hydroxybenzoate,n-heptyl 4-hydroxybenzoate,nipaheptyl,staypro ws 7,n-heptyl p-hydroxybenzoate,benzoic acid, 4-hydroxy-, heptyl ester,p-hydroxybenzoic acid heptyl ester,p-oxybenzoesaureheptylester PubChem CID: 14138 ChEBI: CHEBI:34788 IUPAC Name: heptyl 4-hydroxybenzoate SMILES: CCCCCCCOC(=O)C1=CC=C(O)C=C1
| PubChem CID | 14138 |
|---|---|
| CAS | 1085-12-7 |
| Molecular Weight (g/mol) | 236.31 |
| ChEBI | CHEBI:34788 |
| MDL Number | MFCD00016481 |
| SMILES | CCCCCCCOC(=O)C1=CC=C(O)C=C1 |
| Synonym | heptylparaben,heptyl paraben,heptyl p-hydroxybenzoate,n-heptyl 4-hydroxybenzoate,nipaheptyl,staypro ws 7,n-heptyl p-hydroxybenzoate,benzoic acid, 4-hydroxy-, heptyl ester,p-hydroxybenzoic acid heptyl ester,p-oxybenzoesaureheptylester |
| IUPAC Name | heptyl 4-hydroxybenzoate |
| InChI Key | ZTJORNVITHUQJA-UHFFFAOYSA-N |
| Molecular Formula | C14H20O3 |
Propyl Salicylate 98.0+%, TCI America™
CAS: 607-90-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00045763 InChI Key: LZFIOSVZIQOVFW-UHFFFAOYSA-N Synonym: 2-Hydroxybenzoic Acid Propyl Ester, Salicylic Acid Propyl Ester, Propyl 2-Hydroxybenzoate PubChem CID: 69092 IUPAC Name: propyl 2-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=CC=C1O
| PubChem CID | 69092 |
|---|---|
| CAS | 607-90-9 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00045763 |
| SMILES | CCCOC(=O)C1=CC=CC=C1O |
| Synonym | 2-Hydroxybenzoic Acid Propyl Ester, Salicylic Acid Propyl Ester, Propyl 2-Hydroxybenzoate |
| IUPAC Name | propyl 2-hydroxybenzoate |
| InChI Key | LZFIOSVZIQOVFW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Methyl 5-Methylsalicylate 96.0+%, TCI America™
CAS: 22717-57-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016485 InChI Key: JQYUQKRFSSSGJM-UHFFFAOYSA-N Synonym: methyl 5-methylsalicylate,benzoic acid, 2-hydroxy-5-methyl-, methyl ester,2-hydroxy-5-methylbenzoic acid methyl ester,methyl-5-methylsalicylate,2,5-cresotic acid, methyl ester,methyl 5-methyl salicylate,p-cresotic acid methyl ester,5-methylsalicylic acid methyl ester,methyl 2-hydroxy-5-methyl-benzoate,6-hydroxy-m-toluic acid methyl ester PubChem CID: 89802 IUPAC Name: methyl 2-hydroxy-5-methylbenzoate SMILES: CC1=CC(=C(C=C1)O)C(=O)OC
| PubChem CID | 89802 |
|---|---|
| CAS | 22717-57-3 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00016485 |
| SMILES | CC1=CC(=C(C=C1)O)C(=O)OC |
| Synonym | methyl 5-methylsalicylate,benzoic acid, 2-hydroxy-5-methyl-, methyl ester,2-hydroxy-5-methylbenzoic acid methyl ester,methyl-5-methylsalicylate,2,5-cresotic acid, methyl ester,methyl 5-methyl salicylate,p-cresotic acid methyl ester,5-methylsalicylic acid methyl ester,methyl 2-hydroxy-5-methyl-benzoate,6-hydroxy-m-toluic acid methyl ester |
| IUPAC Name | methyl 2-hydroxy-5-methylbenzoate |
| InChI Key | JQYUQKRFSSSGJM-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Isopropyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1
| PubChem CID | 20161 |
|---|---|
| CAS | 4191-73-5 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00016468 |
| SMILES | CC(C)OC(=O)C1=CC=C(O)C=C1 |
| Synonym | isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester |
| IUPAC Name | propan-2-yl 4-hydroxybenzoate |
| InChI Key | CMHMMKSPYOOVGI-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Propyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7175 |
|---|---|
| CAS | 94-13-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:32063 |
| MDL Number | MFCD00002354 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2,4-Difluorotoluene, TCI America™
CAS: 452-76-6 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.122 MDL Number: MFCD00000332 InChI Key: MPXDAIBTYWGBSL-UHFFFAOYSA-N Synonym: 2,4-difluorotoluene,difluorotoluene,benzene, 2,4-difluoro-1-methyl,2,4-difluorotolune,2, 4-difluorotoluene,2,4-difluoro methyl benzene,2,4-difluoro-1-methyl-benzene,2,4-difluor-1-methylbenzol,pubchem1612,pubchem1613 PubChem CID: 67983 IUPAC Name: 2,4-difluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)F
| PubChem CID | 67983 |
|---|---|
| CAS | 452-76-6 |
| Molecular Weight (g/mol) | 128.122 |
| MDL Number | MFCD00000332 |
| SMILES | CC1=C(C=C(C=C1)F)F |
| Synonym | 2,4-difluorotoluene,difluorotoluene,benzene, 2,4-difluoro-1-methyl,2,4-difluorotolune,2, 4-difluorotoluene,2,4-difluoro methyl benzene,2,4-difluoro-1-methyl-benzene,2,4-difluor-1-methylbenzol,pubchem1612,pubchem1613 |
| IUPAC Name | 2,4-difluoro-1-methylbenzene |
| InChI Key | MPXDAIBTYWGBSL-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2 |