methyl 9,10-bis(methylsulfanyl)octadecanoate

Systemtic Name: methyl 9,10-bis(methylsulfanyl)octadecanoate Openeye Name: methyl 9,10-bis(methylsulfanyl)octadecanoate CAS Name: 9,10-bis(methylthio)octadecanoic acid methyl ester IUPAC Name: methyl 9,10-bis(methylsulfanyl)octadecanoate Traditional Name: 9,10-bis(methylthio)stearic acid methyl ester Formula: C21H42O2S2 MolecularWeight: 390.68698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)OC)SC)SC

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCC(=O)OC)SC)SC

InChI

InChI=1S/C21H42O2S2/c1-5-6-7-8-10-13-16-19(24-3)20(25-4)17-14-11-9-12-15-18-21(22)23-2/h19-20H,5-18H2,1-4H3