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

Systemtic Name: [(E)-octadec-1-enyl] 3-sulfooxybutanoate Openeye Name: [(E)-octadec-1-enyl] 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid [(E)-octadec-1-enyl] ester IUPAC Name: [(E)-octadec-1-enyl] 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid [(E)-octadec-1-enyl] ester Formula: C22H42O6S MolecularWeight: 434.63028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-22(23)20-21(2)28-29(24,25)26/h18-19,21H,3-17,20H2,1-2H3,(H,24,25,26)/b19-18+