4-hexadecoxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: 4-hexadecoxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: 4-hexadecoxy-4-oxo-3-sulfo-butanoate CAS Name: 4-hexadecoxy-4-oxo-3-sulfobutanoate IUPAC Name: 4-hexadecoxy-4-oxo-3-sulfobutanoate Traditional Name: 4-cetyloxy-4-keto-3-sulfo-butyrate Formula: C20H37O7S- MolecularWeight: 421.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C20H38O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26)/p-1