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

Systemtic Name: dodecylsulfanyl 2-[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-dodecylsulfanyl-methyl]pentanoate Openeye Name: dodecylsulfanyl 2-[(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-dodecylsulfanyl-methyl]pentanoate CAS Name: 2-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-(dodecylthio)methyl]pentanoic acid (dodecylthio) ester IUPAC Name: dodecylsulfanyl 2-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-dodecylsulfanylmethyl]pentanoate Traditional Name: 2-[(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-(laurylthio)methyl]valeric acid (laurylthio) ester Formula: C42H76O3S2 MolecularWeight: 693.18104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(C1=CC(=C(C(=C1C)C)O)C(C)(C)C)C(CCC)C(=O)OSCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC(C1=CC(=C(C(=C1C)C)O)C(C)(C)C)C(CCC)C(=O)OSCCCCCCCCCCCC

InChI

InChI=1S/C42H76O3S2/c1-9-12-14-16-18-20-22-24-26-28-31-46-40(37-33-38(42(6,7)8)39(43)35(5)34(37)4)36(30-11-3)41(44)45-47-32-29-27-25-23-21-19-17-15-13-10-2/h33,36,40,43H,9-32H2,1-8H3