(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[4-(2-phenylethynyl)phenyl]sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[4-(2-phenylethynyl)phenyl]sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[4-(2-phenylethynyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[4-(2-phenylethynyl)phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[4-(2-phenylethynyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[4-(2-phenylethynyl)phenyl]sulfonyl-acrylonitrile Formula: C31H31NO3S MolecularWeight: 497.64774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C31H31NO3S/c1-30(2,3)27-19-24(20-28(29(27)33)31(4,5)6)18-26(21-32)36(34,35)25-16-14-23(15-17-25)13-12-22-10-8-7-9-11-22/h7-11,14-20,33H,1-6H3/b26-18+