2-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfinylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfinylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfinylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfinylmethyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfinylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfinylmethyl]phenyl]benzonitrile Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C28H31NO2S/c1-27(2,3)24-15-22(16-25(26(24)30)28(4,5)6)32(31)18-19-11-13-20(14-12-19)23-10-8-7-9-21(23)17-29/h7-16,30H,18H2,1-6H3