cyclohexylsulfanyl 2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-cyclohexylsulfanyl-methyl]pentanoate

Systemtic Name: cyclohexylsulfanyl 2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-cyclohexylsulfanyl-methyl]pentanoate Openeye Name: cyclohexylsulfanyl 2-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-cyclohexylsulfanyl-methyl]pentanoate CAS Name: 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)-(cyclohexylthio)methyl]pentanoic acid (cyclohexylthio) ester IUPAC Name: cyclohexylsulfanyl 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)-cyclohexylsulfanylmethyl]pentanoate Traditional Name: 2-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-(cyclohexylthio)methyl]valeric acid (cyclohexylthio) ester Formula: C29H46O3S2 MolecularWeight: 506.80374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC(=C(C(=C1)C(C)(C)C)O)C)SC2CCCCC2)C(=O)OSC3CCCCC3

Isomeric SMILES

CCCC(C(C1=CC(=C(C(=C1)C(C)(C)C)O)C)SC2CCCCC2)C(=O)OSC3CCCCC3

InChI

InChI=1S/C29H46O3S2/c1-6-13-24(28(31)32-34-23-16-11-8-12-17-23)27(33-22-14-9-7-10-15-22)21-18-20(2)26(30)25(19-21)29(3,4)5/h18-19,22-24,27,30H,6-17H2,1-5H3