sodium sulfo (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: sodium sulfo (E)-12-oxidanyloctadec-9-enoate Openeye Name: sodium sulfo (E)-12-hydroxyoctadec-9-enoate CAS Name: sodium (E)-12-hydroxy-9-octadecenoic acid sulfo ester IUPAC Name: sodium sulfo (E)-12-hydroxyoctadec-9-enoate Traditional Name: sodium (E)-12-hydroxyoctadec-9-enoic acid sulfo ester Formula: C18H34NaO6S+ MolecularWeight: 401.51373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OS(=O)(=O)O)O.[Na+]

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OS(=O)(=O)O)O.[Na+]

InChI

InChI=1S/C18H34O6S.Na/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)24-25(21,22)23;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,21,22,23);/q;+1/b12-9+;