2-sulfanylbutanoyl (E)-octadec-9-enoate

Systemtic Name: 2-sulfanylbutanoyl (E)-octadec-9-enoate Openeye Name: 2-sulfanylbutanoyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (2-mercapto-1-oxobutyl) ester IUPAC Name: 2-sulfanylbutanoyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-mercaptobutanoyl ester Formula: C22H40O3S MolecularWeight: 384.6162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C(CC)S

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)C(CC)S

InChI

InChI=1S/C22H40O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)25-22(24)20(26)4-2/h11-12,20,26H,3-10,13-19H2,1-2H3/b12-11+