(2-methyl-3-sulfanyl-propanoyl) (E)-octadec-9-enoate

Systemtic Name: (2-methyl-3-sulfanyl-propanoyl) (E)-octadec-9-enoate Openeye Name: (2-methyl-3-sulfanyl-propanoyl) (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (3-mercapto-2-methyl-1-oxopropyl) ester IUPAC Name: (2-methyl-3-sulfanylpropanoyl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (3-mercapto-2-methyl-propanoyl) ester Formula: C22H40O3S MolecularWeight: 384.6162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C(C)CS

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)C(C)CS

InChI

InChI=1S/C22H40O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)25-22(24)20(2)19-26/h10-11,20,26H,3-9,12-19H2,1-2H3/b11-10+