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 |