(E)-2-hexadecyloctadec-9-enoic acid sulfate

Systemtic Name: (E)-2-hexadecyloctadec-9-enoic acid sulfate Openeye Name: (E)-2-hexadecyloctadec-9-enoic acid sulfate CAS Name: (E)-2-hexadecyl-9-octadecenoic acid sulfate IUPAC Name: (E)-2-hexadecyloctadec-9-enoic acid sulfate Traditional Name: (E)-2-cetyloctadec-9-enoic acid sulfate Formula: C34H66O6S-2 MolecularWeight: 602.94924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCC=CCCCCCCCC)C(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCC/C=C/CCCCCCCC)C(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C34H66O2.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5(2,3)4/h17,19,33H,3-16,18,20-32H2,1-2H3,(H,35,36);(H2,1,2,3,4)/p-2/b19-17+;