[(E)-hexadec-1-enyl] 3-sulfooxybutanoate

Systemtic Name: [(E)-hexadec-1-enyl] 3-sulfooxybutanoate Openeye Name: [(E)-hexadec-1-enyl] 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid [(E)-hexadec-1-enyl] ester IUPAC Name: [(E)-hexadec-1-enyl] 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid [(E)-hexadec-1-enyl] ester Formula: C20H38O6S MolecularWeight: 406.57712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20(21)18-19(2)26-27(22,23)24/h16-17,19H,3-15,18H2,1-2H3,(H,22,23,24)/b17-16+