SPV
Summary
Name: | SULFOPYRUVATE |
Formula: | C3 H4 O6 S |
Formal charge: | 0 |
Formula weight: | 168.125 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-oxo-3-sulfopropanoic acid |
OpenEye OEToolkits | 1.5.0 | 2-oxo-3-sulfo-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(=O)CS(=O)(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)C[S](O)(=O)=O |
SMILES | CACTVS | 3.341 | OC(=O)C(=O)C[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)C(=O)O)S(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)C(=O)O)S(=O)(=O)O |
InChI | InChI | 1.03 | InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9) |
InChIKey | InChI | 1.03 | BUTHMSUEBYPMKJ-UHFFFAOYSA-N |