methyl 3-[4-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]phenyl]cyclopent-3-ene-1-carboxylate

Systemtic Name: methyl 3-[4-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]phenyl]cyclopent-3-ene-1-carboxylate Openeye Name: methyl 3-[4-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]phenyl]cyclopent-3-ene-1-carboxylate CAS Name: 3-[4-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]phenyl]-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-methylsulfonyl-2-[4-(trifluoromethyl)phenyl]phenyl]cyclopent-3-ene-1-carboxylate Traditional Name: 3-[4-mesyl-2-[4-(trifluoromethyl)phenyl]phenyl]cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C21H19F3O4S MolecularWeight: 424.43337

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=C(C1)C2=C(C=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1CC=C(C1)C2=C(C=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3O4S/c1-28-20(25)15-4-3-14(11-15)18-10-9-17(29(2,26)27)12-19(18)13-5-7-16(8-6-13)21(22,23)24/h3,5-10,12,15H,4,11H2,1-2H3