methyl (E)-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyloctadec-5-enoate

Systemtic Name: methyl (E)-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyloctadec-5-enoate Openeye Name: methyl (E)-4-(3-methoxy-3-oxo-propyl)sulfanyloctadec-5-enoate CAS Name: (E)-4-[(3-methoxy-3-oxopropyl)thio]-5-octadecenoic acid methyl ester IUPAC Name: methyl (E)-4-(3-methoxy-3-oxopropyl)sulfanyloctadec-5-enoate Traditional Name: (E)-4-[(3-keto-3-methoxy-propyl)thio]octadec-5-enoic acid methyl ester Formula: C23H42O4S MolecularWeight: 414.64218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CCC(=O)OC)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(CCC(=O)OC)SCCC(=O)OC

InChI

InChI=1S/C23H42O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-18-22(24)26-2)28-20-19-23(25)27-3/h15-16,21H,4-14,17-20H2,1-3H3/b16-15+