methyl 9-[(1-methoxy-12-oxidanyl-1-oxidanylidene-octadecan-9-yl)disulfanyl]-12-oxidanyl-octadecanoate

Systemtic Name: methyl 9-[(1-methoxy-12-oxidanyl-1-oxidanylidene-octadecan-9-yl)disulfanyl]-12-oxidanyl-octadecanoate Openeye Name: methyl 12-hydroxy-9-[[4-hydroxy-1-(8-methoxy-8-oxo-octyl)decyl]disulfanyl]octadecanoate CAS Name: 12-hydroxy-9-[(12-hydroxy-1-methoxy-1-oxooctadecan-9-yl)disulfanyl]octadecanoic acid methyl ester IUPAC Name: methyl 12-hydroxy-9-[(12-hydroxy-1-methoxy-1-oxooctadecan-9-yl)disulfanyl]octadecanoate Traditional Name: 12-hydroxy-9-[[4-hydroxy-1-(8-keto-8-methoxy-octyl)decyl]disulfanyl]stearic acid methyl ester Formula: C38H74O6S2 MolecularWeight: 691.12056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC(CCCCCCCC(=O)OC)SSC(CCCCCCCC(=O)OC)CCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(CCC(CCCCCCCC(=O)OC)SSC(CCCCCCCC(=O)OC)CCC(CCCCCC)O)O

InChI

InChI=1S/C38H74O6S2/c1-5-7-9-17-23-33(39)29-31-35(25-19-13-11-15-21-27-37(41)43-3)45-46-36(32-30-34(40)24-18-10-8-6-2)26-20-14-12-16-22-28-38(42)44-4/h33-36,39-40H,5-32H2,1-4H3