(E)-3-(1,5-ditert-butyl-4-oxidanyl-cyclohexa-2,4-dien-1-yl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1,5-ditert-butyl-4-oxidanyl-cyclohexa-2,4-dien-1-yl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(1,5-ditert-butyl-4-hydroxy-cyclohexa-2,4-dien-1-yl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(1,5-ditert-butyl-4-hydroxy-1-cyclohexa-2,4-dienyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(1,5-ditert-butyl-4-hydroxycyclohexa-2,4-dien-1-yl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(1,5-ditert-butyl-4-hydroxy-cyclohexa-2,4-dien-1-yl)-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C23H28FNO3S MolecularWeight: 417.536723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FNO3S/c1-21(2,3)19-14-23(22(4,5)6,12-11-20(19)26)13-18(15-25)29(27,28)17-9-7-16(24)8-10-17/h7-13,26H,14H2,1-6H3/b18-13+