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

Systemtic Name: hexadecylsulfanyl 2-[(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)-hexadecylsulfanyl-methyl]pentanoate Openeye Name: hexadecylsulfanyl 2-[(5-tert-butyl-4-hydroxy-2-methyl-phenyl)-hexadecylsulfanyl-methyl]pentanoate CAS Name: 2-[(5-tert-butyl-4-hydroxy-2-methylphenyl)-(hexadecylthio)methyl]pentanoic acid (hexadecylthio) ester IUPAC Name: hexadecylsulfanyl 2-[(5-tert-butyl-4-hydroxy-2-methylphenyl)-hexadecylsulfanylmethyl]pentanoate Traditional Name: 2-[(5-tert-butyl-4-hydroxy-2-methyl-phenyl)-(cetylthio)methyl]valeric acid (cetylthio) ester Formula: C49H90O3S2 MolecularWeight: 791.3671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C1=CC(=C(C=C1C)O)C(C)(C)C)C(CCC)C(=O)OSCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C1=CC(=C(C=C1C)O)C(C)(C)C)C(CCC)C(=O)OSCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H90O3S2/c1-8-11-13-15-17-19-21-23-25-27-29-31-33-35-38-53-47(44-41-45(49(5,6)7)46(50)40-42(44)4)43(37-10-3)48(51)52-54-39-36-34-32-30-28-26-24-22-20-18-16-14-12-9-2/h40-41,43,47,50H,8-39H2,1-7H3