dimethyl 3-[2-(4-fluorophenyl)-4-methylsulfonyl-phenyl]cyclopent-3-ene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-[2-(4-fluorophenyl)-4-methylsulfonyl-phenyl]cyclopent-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-[2-(4-fluorophenyl)-4-methylsulfonyl-phenyl]cyclopent-3-ene-1,1-dicarboxylate CAS Name: 3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[2-(4-fluorophenyl)-4-methylsulfonylphenyl]cyclopent-3-ene-1,1-dicarboxylate Traditional Name: 3-[2-(4-fluorophenyl)-4-mesyl-phenyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester Formula: C22H21FO6S MolecularWeight: 432.461943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FO6S/c1-28-20(24)22(21(25)29-2)11-10-15(13-22)18-9-8-17(30(3,26)27)12-19(18)14-4-6-16(23)7-5-14/h4-10,12H,11,13H2,1-3H3