dodecan-2-ylsulfanyl 5-(5-dodecan-2-ylsulfanyloxy-4-methyl-5-oxidanylidene-pentyl)sulfanyl-2-methyl-pentanoate

Systemtic Name: dodecan-2-ylsulfanyl 5-(5-dodecan-2-ylsulfanyloxy-4-methyl-5-oxidanylidene-pentyl)sulfanyl-2-methyl-pentanoate Openeye Name: 1-methylundecylsulfanyl 2-methyl-5-[4-methyl-5-(1-methylundecylsulfanyloxy)-5-oxo-pentyl]sulfanyl-pentanoate CAS Name: 5-[[5-(dodecan-2-ylthio)oxy-4-methyl-5-oxopentyl]thio]-2-methylpentanoic acid (dodecan-2-ylthio) ester IUPAC Name: dodecan-2-ylsulfanyl 5-(5-dodecan-2-ylsulfanyloxy-4-methyl-5-oxopentyl)sulfanyl-2-methylpentanoate Traditional Name: 5-[[5-keto-4-methyl-5-(1-methylundecylthio)oxy-pentyl]thio]-2-methyl-valeric acid (1-methylundecylthio) ester Formula: C36H70O4S3 MolecularWeight: 663.1336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SOC(=O)C(C)CCCSCCCC(C)C(=O)OSC(C)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(C)SOC(=O)C(C)CCCSCCCC(C)C(=O)OSC(C)CCCCCCCCCC

InChI

InChI=1S/C36H70O4S3/c1-7-9-11-13-15-17-19-21-27-33(5)42-39-35(37)31(3)25-23-29-41-30-24-26-32(4)36(38)40-43-34(6)28-22-20-18-16-14-12-10-8-2/h31-34H,7-30H2,1-6H3