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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)CCCSOC(=O)C(C)CCCSCCCC(C)C(=O)OSCCCC(CCCC)CCCC

Isomeric SMILES

CCCCC(CCCC)CCCSOC(=O)C(C)CCCSCCCC(C)C(=O)OSCCCC(CCCC)CCCC

InChI

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