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

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(4-nitrophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-nitrophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(4-nitrophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-nosyl-acrylonitrile Formula: C23H26N2O5S MolecularWeight: 442.52794

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5S/c1-22(2,3)19-12-15(13-20(21(19)26)23(4,5)6)11-18(14-24)31(29,30)17-9-7-16(8-10-17)25(27)28/h7-13,26H,1-6H3/b18-11+