methyl 11,12-bis(methylsulfanyl)icosanoate

Systemtic Name: methyl 11,12-bis(methylsulfanyl)icosanoate Openeye Name: methyl 11,12-bis(methylsulfanyl)icosanoate CAS Name: 11,12-bis(methylthio)eicosanoic acid methyl ester IUPAC Name: methyl 11,12-bis(methylsulfanyl)icosanoate Traditional Name: 11,12-bis(methylthio)arachidic acid methyl ester Formula: C23H46O2S2 MolecularWeight: 418.74014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H46O2S2/c1-5-6-7-8-12-15-18-21(26-3)22(27-4)19-16-13-10-9-11-14-17-20-23(24)25-2/h21-22H,5-20H2,1-4H3