(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl icosanoate

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl icosanoate Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl icosanoate CAS Name: eicosanoic acid [(3,5-ditert-butyl-4-hydroxyphenyl)methylthio] ester IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl icosanoate Traditional Name: arachidic acid [(3,5-ditert-butyl-4-hydroxy-benzyl)thio] ester Formula: C35H62O3S MolecularWeight: 562.92998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=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(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C35H62O3S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32(36)38-39-28-29-26-30(34(2,3)4)33(37)31(27-29)35(5,6)7/h26-27,37H,8-25,28H2,1-7H3