4-octoxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-octoxy-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-octoxy-4-oxo-3-sulfo-butanoic acid CAS Name: 4-octoxy-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-octoxy-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-octoxy-3-sulfo-butyric acid Formula: C12H22O7S MolecularWeight: 310.36388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H22O7S/c1-2-3-4-5-6-7-8-19-12(15)10(9-11(13)14)20(16,17)18/h10H,2-9H2,1H3,(H,13,14)(H,16,17,18)