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

Systemtic Name: dodecylsulfanyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)-dodecylsulfanyl-methyl]pentanoate Openeye Name: dodecylsulfanyl 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)-dodecylsulfanyl-methyl]pentanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)-(dodecylthio)methyl]pentanoic acid (dodecylthio) ester IUPAC Name: dodecylsulfanyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)-dodecylsulfanylmethyl]pentanoate Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)-(laurylthio)methyl]valeric acid (laurylthio) ester Formula: C44H80O3S2 MolecularWeight: 721.2342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H80O3S2/c1-10-13-15-17-19-21-23-25-27-29-32-48-41(36-34-38(43(4,5)6)40(45)39(35-36)44(7,8)9)37(31-12-3)42(46)47-49-33-30-28-26-24-22-20-18-16-14-11-2/h34-35,37,41,45H,10-33H2,1-9H3