4-hexoxy-4-oxidanylidene-3-sulfo-butanoate phosphate

Systemtic Name: 4-hexoxy-4-oxidanylidene-3-sulfo-butanoate phosphate Openeye Name: 4-hexoxy-4-oxo-3-sulfo-butanoate phosphate CAS Name: 4-hexoxy-4-oxo-3-sulfobutanoate phosphate IUPAC Name: 4-hexoxy-4-oxo-3-sulfobutanoate phosphate Traditional Name: 4-hexoxy-4-keto-3-sulfo-butyrate phosphate Formula: C10H17O11PS-4 MolecularWeight: 376.274141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C10H18O7S.H3O4P/c1-2-3-4-5-6-17-10(13)8(7-9(11)12)18(14,15)16;1-5(2,3)4/h8H,2-7H2,1H3,(H,11,12)(H,14,15,16);(H3,1,2,3,4)/p-4