8YM
Summary
| Name: | 2-[(2-acetylphenyl)sulfanyl]benzoic acid |
| Formula: | C15 H12 O3 S |
| Formal charge: | 0 |
| Formula weight: | 272.319 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-acetylphenyl)sulfanyl]benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 2-(2-ethanoylphenyl)sulfanylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(c(c1)Sc2c(cccc2)C(O)=O)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H12O3S/c1-10(16)11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)15(17)18/h2-9H,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | UVKUNTVZWDIEDN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccccc1Sc2ccccc2C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccccc1Sc2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1ccccc1Sc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1ccccc1Sc2ccccc2C(=O)O |
