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

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]prop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[3-(trifluoromethyl)benzyl]sulfonyl-acrylonitrile Formula: C25H28F3NO3S MolecularWeight: 479.55493

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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)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C25H28F3NO3S/c1-23(2,3)20-12-17(13-21(22(20)30)24(4,5)6)11-19(14-29)33(31,32)15-16-8-7-9-18(10-16)25(26,27)28/h7-13,30H,15H2,1-6H3/b19-11+