(E)-3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2-[4-(trifluoromethyloxy)phenyl]sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2-[4-(trifluoromethyloxy)phenyl]sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2-[4-(trifluoromethoxy)phenyl]sulfonyl-acrylonitrile Formula: C21H20F3NO4S MolecularWeight: 439.44801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(C)(C)C)O

InChI

InChI=1S/C21H20F3NO4S/c1-13-9-14(11-18(19(13)26)20(2,3)4)10-17(12-25)30(27,28)16-7-5-15(6-8-16)29-21(22,23)24/h5-11,26H,1-4H3/b17-10+