VWZ
Summary
Name: | 4-phenylbenzenesulfonic acid |
Formula: | C12 H10 O3 S |
Formal charge: | 0 |
Formula weight: | 234.271 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 4-phenylbenzenesulfonic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C12H10O3S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15) |
InChIKey | InChI | 1.06 | XDTYUYVIGLIFCW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(cc1)c2ccccc2 |
SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(cc1)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)S(=O)(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)S(=O)(=O)O |