7BI
Summary
| Name: | dimethyl-[(Z)-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium |
| Formula: | C7 H13 O4 S |
| Formal charge: | 1 |
| Formula weight: | 193.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | dimethyl-[(~{Z})-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H12O4S/c1-12(2)4-3-5(8)6(9)7(10)11/h3-4H2,1-2H3,(H2-,8,9,10,11)/p+1/b6-5- |
| InChIKey | InChI | 1.03 | OURROQZHBYSLDP-WAYWQWQTSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S+](C)CC\C(O)=C(O)/C(O)=O |
| SMILES | CACTVS | 3.385 | C[S+](C)CCC(O)=C(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[S+](C)CC/C(=C(\C(=O)O)/O)/O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[S+](C)CCC(=C(C(=O)O)O)O |
