dodecylsulfanyl 2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-dodecylsulfanyl-methyl]pentanoate

Systemtic Name: dodecylsulfanyl 2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-dodecylsulfanyl-methyl]pentanoate Openeye Name: dodecylsulfanyl 2-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-dodecylsulfanyl-methyl]pentanoate CAS Name: 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)-(dodecylthio)methyl]pentanoic acid (dodecylthio) ester IUPAC Name: dodecylsulfanyl 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)-dodecylsulfanylmethyl]pentanoate Traditional Name: 2-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-(laurylthio)methyl]valeric acid (laurylthio) ester Formula: C41H74O3S2 MolecularWeight: 679.15446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(C1=CC(=C(C(=C1)C(C)(C)C)O)C)C(CCC)C(=O)OSCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC(C1=CC(=C(C(=C1)C(C)(C)C)O)C)C(CCC)C(=O)OSCCCCCCCCCCCC

InChI

InChI=1S/C41H74O3S2/c1-8-11-13-15-17-19-21-23-25-27-30-45-39(35-32-34(4)38(42)37(33-35)41(5,6)7)36(29-10-3)40(43)44-46-31-28-26-24-22-20-18-16-14-12-9-2/h32-33,36,39,42H,8-31H2,1-7H3