[(E)-hexadec-1-enyl] 2-sulfooxyoctanoate

Systemtic Name: [(E)-hexadec-1-enyl] 2-sulfooxyoctanoate Openeye Name: [(E)-hexadec-1-enyl] 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid [(E)-hexadec-1-enyl] ester IUPAC Name: [(E)-hexadec-1-enyl] 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid [(E)-hexadec-1-enyl] ester Formula: C24H46O6S MolecularWeight: 462.68344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=COC(=O)C(CCCCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/OC(=O)C(CCCCCC)OS(=O)(=O)O

InChI

InChI=1S/C24H46O6S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-29-24(25)23(30-31(26,27)28)21-19-8-6-4-2/h20,22-23H,3-19,21H2,1-2H3,(H,26,27,28)/b22-20+