4-ethoxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-ethoxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-ethoxy-4-oxo-3-sulfo-butanoic acid CAS Name: 4-ethoxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-ethoxy-4-oxo-3-sulfobutanoic acid Traditional Name: 4-ethoxy-4-keto-3-sulfo-butyric acid Formula: C6H10O7S MolecularWeight: 226.2044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C6H10O7S/c1-2-13-6(9)4(3-5(7)8)14(10,11)12/h4H,2-3H2,1H3,(H,7,8)(H,10,11,12)