S5Z
Summary
| Name: | 4-phenyl-2-(sulfanylmethyl)benzoic acid |
| Formula: | C14 H12 O2 S |
| Formal charge: | 0 |
| Formula weight: | 244.309 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-phenyl-2-(sulfanylmethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12O2S/c15-14(16)13-7-6-11(8-12(13)9-17)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,15,16) |
| InChIKey | InChI | 1.03 | OJGNJYVRHUYKQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1CS)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1CS)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)c2ccc(c(c2)CS)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)c2ccc(c(c2)CS)C(=O)O |
