SEH
Summary
| Name: | S-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE |
| Synonyms: | ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE |
| Formula: | C10 H13 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 275.345 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate |
| OpenEye OEToolkits | 1.5.0 | [(1-ethylsulfanyl-2-phenyl-ethylidene)amino] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)O\N=C(/SCC)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCS\C(Cc1ccccc1)=N/O[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | CCSC(Cc1ccccc1)=NO[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCSC(=NOS(=O)(=O)O)Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO4S2/c1-2-16-10(11-15-17(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)/b11-10- |
| InChIKey | InChI | 1.03 | VZFUNHITNWTQFU-KHPPLWFESA-N |
