I4Y
Summary
| Name: | 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid |
| Formula: | C14 H12 O6 S |
| Formal charge: | 0 |
| Formula weight: | 308.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19) |
| InChIKey | InChI | 1.03 | CXVGEDCSTKKODG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(O)c(cc1[S](O)(=O)=O)C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | COc1cc(O)c(cc1[S](O)(=O)=O)C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1S(=O)(=O)O)C(=O)c2ccccc2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1S(=O)(=O)O)C(=O)c2ccccc2)O |
