sodium; hydron; (Z,12R)-12-sulfooxyoctadec-9-enoate

Systemtic Name: sodium; hydron; (Z,12R)-12-sulfooxyoctadec-9-enoate Openeye Name: sodium; hydron; (Z,12R)-12-sulfooxyoctadec-9-enoate CAS Name: sodium; hydron; (Z,12R)-12-sulfooxy-9-octadecenoate IUPAC Name: sodium; hydron; (Z,12R)-12-sulfooxyoctadec-9-enoate Traditional Name: sodium; hydron; (Z,12R)-12-sulfoxyoctadec-9-enoate Formula: C18H34NaO6S+ MolecularWeight: 401.51373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[H+].CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H34O6S.Na/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20;/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/b12-9-;/t17-;/m1./s1