R7T
Summary
| Name: | 4-[(thiophen-2-yl)methyl]benzoic acid |
| Formula: | C12 H10 O2 S |
| Formal charge: | 0 |
| Formula weight: | 218.272 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(thiophen-2-yl)methyl]benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(thiophen-2-ylmethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccc(cc1)Cc2cccs2 |
| InChI | InChI | 1.03 | InChI=1S/C12H10O2S/c13-12(14)10-5-3-9(4-6-10)8-11-2-1-7-15-11/h1-7H,8H2,(H,13,14) |
| InChIKey | InChI | 1.03 | OAIBKSRZDOMJKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Cc2sccc2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Cc2sccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)Cc2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)Cc2ccc(cc2)C(=O)O |
