1-[3,3-dimethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-(trifluoromethyl)benzene

Systemtic Name: 1-[3,3-dimethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-(trifluoromethyl)benzene Openeye Name: 1-[3,3-dimethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-(trifluoromethyl)benzene CAS Name: 1-[3,3-dimethyl-5-(4-methylsulfonylphenyl)-1-cyclopenta-1,4-dienyl]-4-(trifluoromethyl)benzene IUPAC Name: 1-[3,3-dimethyl-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-(trifluoromethyl)benzene Traditional Name: 1-[5-(4-mesylphenyl)-3,3-dimethyl-cyclopenta-1,4-dien-1-yl]-4-(trifluoromethyl)benzene Formula: C21H19F3O2S MolecularWeight: 392.43457

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1(C=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C21H19F3O2S/c1-20(2)12-18(14-4-8-16(9-5-14)21(22,23)24)19(13-20)15-6-10-17(11-7-15)27(3,25)26/h4-13H,1-3H3