methyl (6S,7S)-7-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-6-oxidanyl-octadecanoate

Systemtic Name: methyl (6S,7S)-7-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-6-oxidanyl-octadecanoate Openeye Name: methyl (6S,7S)-6-hydroxy-7-(3-methoxy-3-oxo-propyl)sulfanyl-octadecanoate CAS Name: (6S,7S)-6-hydroxy-7-[(3-methoxy-3-oxopropyl)thio]octadecanoic acid methyl ester IUPAC Name: methyl (6S,7S)-6-hydroxy-7-(3-methoxy-3-oxopropyl)sulfanyloctadecanoate Traditional Name: (6S,7S)-6-hydroxy-7-[(3-keto-3-methoxy-propyl)thio]stearic acid methyl ester Formula: C23H44O5S MolecularWeight: 432.65746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(CCCCC(=O)OC)O)SCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCC[C@@H]([C@H](CCCCC(=O)OC)O)SCCC(=O)OC

InChI

InChI=1S/C23H44O5S/c1-4-5-6-7-8-9-10-11-12-16-21(29-19-18-23(26)28-3)20(24)15-13-14-17-22(25)27-2/h20-21,24H,4-19H2,1-3H3/t20-,21-/m0/s1