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

Systemtic Name: methyl (6S,7R)-6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-7-oxidanyl-octadecanoate Openeye Name: methyl (6S,7R)-7-hydroxy-6-(3-methoxy-3-oxo-propyl)sulfanyl-octadecanoate CAS Name: (6S,7R)-7-hydroxy-6-[(3-methoxy-3-oxopropyl)thio]octadecanoic acid methyl ester IUPAC Name: methyl (6S,7R)-7-hydroxy-6-(3-methoxy-3-oxopropyl)sulfanyloctadecanoate Traditional Name: (6S,7R)-7-hydroxy-6-[(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)SCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H44O5S/c1-4-5-6-7-8-9-10-11-12-15-20(24)21(29-19-18-23(26)28-3)16-13-14-17-22(25)27-2/h20-21,24H,4-19H2,1-3H3/t20-,21+/m1/s1