VM7
Summary
| Name: | 3-(3-methylsulfonylphenyl)benzoic acid |
| Formula: | C14 H12 O4 S |
| Formal charge: | 0 |
| Formula weight: | 276.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(3-methylsulfonylphenyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12O4S/c1-19(17,18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | CRFKLEDBWMGUED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O |
