(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl 2-methyltetradecanoate; (3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl icosanoate

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl 2-methyltetradecanoate; (3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl icosanoate Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl 2-methyltetradecanoate; (4-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl icosanoate CAS Name: eicosanoic acid [(4-hydroxy-3,5-dimethylphenyl)methylthio] ester; 2-methyltetradecanoic acid [(3,5-ditert-butyl-4-hydroxyphenyl)methylthio] ester IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl 2-methyltetradecanoate; (4-hydroxy-3,5-dimethylphenyl)methylsulfanyl icosanoate Traditional Name: arachidic acid [(4-hydroxy-3,5-dimethyl-benzyl)thio] ester; 2-methylmyristic acid [(3,5-ditert-butyl-4-hydroxy-benzyl)thio] ester Formula: C59H102O6S2 MolecularWeight: 971.56758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OSCC1=CC(=C(C(=C1)C)O)C.CCCCCCCCCCCCC(C)C(=O)OSCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OSCC1=CC(=C(C(=C1)C)O)C.CCCCCCCCCCCCC(C)C(=O)OSCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C30H52O3S.C29H50O3S/c1-9-10-11-12-13-14-15-16-17-18-19-23(2)28(32)33-34-22-24-20-25(29(3,4)5)27(31)26(21-24)30(6,7)8;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(30)32-33-24-27-22-25(2)29(31)26(3)23-27/h20-21,23,31H,9-19,22H2,1-8H3;22-23,31H,4-21,24H2,1-3H3