3-butyloctylsulfanyl 5-[5-(3-butyloctylsulfanyloxy)-4-methyl-5-oxidanylidene-pentyl]sulfanyl-2-methyl-pentanoate

Systemtic Name: 3-butyloctylsulfanyl 5-[5-(3-butyloctylsulfanyloxy)-4-methyl-5-oxidanylidene-pentyl]sulfanyl-2-methyl-pentanoate Openeye Name: 3-butyloctylsulfanyl 5-[5-(3-butyloctylsulfanyloxy)-4-methyl-5-oxo-pentyl]sulfanyl-2-methyl-pentanoate CAS Name: 5-[[5-(3-butyloctylthio)oxy-4-methyl-5-oxopentyl]thio]-2-methylpentanoic acid (3-butyloctylthio) ester IUPAC Name: 3-butyloctylsulfanyl 5-[5-(3-butyloctylsulfanyloxy)-4-methyl-5-oxopentyl]sulfanyl-2-methylpentanoate Traditional Name: 5-[[5-(3-butyloctylthio)oxy-5-keto-4-methyl-pentyl]thio]-2-methyl-valeric acid (3-butyloctylthio) ester Formula: C36H70O4S3 MolecularWeight: 663.1336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)CCSOC(=O)C(C)CCCSCCCC(C)C(=O)OSCCC(CCCC)CCCCC

Isomeric SMILES

CCCCCC(CCCC)CCSOC(=O)C(C)CCCSCCCC(C)C(=O)OSCCC(CCCC)CCCCC

InChI

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