EH2
Summary
| Name: | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid |
| Formula: | C13 H10 O2 S |
| Formal charge: | 0 |
| Formula weight: | 230.282 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+ |
| InChIKey | InChI | 1.03 | ISSJZCAENPGUEW-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1\C=C\c2sccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1C=Cc2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)/C=C/c2cccs2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C=Cc2cccs2)C(=O)O |
