[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethyl]phenyl] benzoate

Systemtic Name: [4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethyl]phenyl] benzoate Openeye Name: [4-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylmethyl]phenyl] benzoate CAS Name: benzoic acid [4-[[(3,5-ditert-butyl-4-hydroxyphenyl)thio]methyl]phenyl] ester IUPAC Name: [4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]phenyl] benzoate Traditional Name: benzoic acid [4-[[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]methyl]phenyl] ester Formula: C28H32O3S MolecularWeight: 448.61688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H32O3S/c1-27(2,3)23-16-22(17-24(25(23)29)28(4,5)6)32-18-19-12-14-21(15-13-19)31-26(30)20-10-8-7-9-11-20/h7-17,29H,18H2,1-6H3