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

Systemtic Name: [(E)-octadec-1-enyl] 2-sulfooxyoctanoate Openeye Name: [(E)-octadec-1-enyl] 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid [(E)-octadec-1-enyl] ester IUPAC Name: [(E)-octadec-1-enyl] 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid [(E)-octadec-1-enyl] ester Formula: C26H50O6S MolecularWeight: 490.7366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H50O6S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-31-26(27)25(32-33(28,29)30)23-21-8-6-4-2/h22,24-25H,3-21,23H2,1-2H3,(H,28,29,30)/b24-22+