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

Systemtic Name: [(E)-octadec-1-enyl] 3-sulfooxypropanoate Openeye Name: [(E)-octadec-1-enyl] 3-sulfooxypropanoate CAS Name: 3-sulfooxypropanoic acid [(E)-octadec-1-enyl] ester IUPAC Name: [(E)-octadec-1-enyl] 3-sulfooxypropanoate Traditional Name: 3-sulfoxypropionic acid [(E)-octadec-1-enyl] ester Formula: C21H40O6S MolecularWeight: 420.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=COC(=O)CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/OC(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C21H40O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21(22)18-20-27-28(23,24)25/h17,19H,2-16,18,20H2,1H3,(H,23,24,25)/b19-17+