OVP
Summary
| Name: | 3-(methylsulfanyl)benzoic acid |
| Formula: | C8 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 168.213 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(methylsulfanyl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-methylsulfanylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSc1cccc(c1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | PZGADOOBMVLBJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1cccc(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | CSc1cccc(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1cccc(c1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1cccc(c1)C(=O)O |
