dimethyl 3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate CAS Name: 3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate Traditional Name: 3-(4-chlorophenyl)-4-(4-mesylphenyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester Formula: C22H21ClO6S MolecularWeight: 448.91654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClO6S/c1-28-20(24)22(21(25)29-2)12-18(14-4-8-16(23)9-5-14)19(13-22)15-6-10-17(11-7-15)30(3,26)27/h4-11H,12-13H2,1-3H3