dimethyl 3-(1,3-benzodioxol-5-yl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate

Systemtic Name: dimethyl 3-(1,3-benzodioxol-5-yl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate Openeye Name: dimethyl 3-(1,3-benzodioxol-5-yl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(1,3-benzodioxol-5-yl)-4-(4-methylsulfonylphenyl)cyclopent-3-ene-1,1-dicarboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(4-mesylphenyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester Formula: C23H22O8S MolecularWeight: 458.48098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=C(C1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC(=C(C1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C23H22O8S/c1-28-21(24)23(22(25)29-2)11-17(14-4-7-16(8-5-14)32(3,26)27)18(12-23)15-6-9-19-20(10-15)31-13-30-19/h4-10H,11-13H2,1-3H3