dimethyl (2E)-2-(phenylmethylidene)-4-(phenylsulfonyl)cyclopentane-1,1-dicarboxylate

Systemtic Name: dimethyl (2E)-2-(phenylmethylidene)-4-(phenylsulfonyl)cyclopentane-1,1-dicarboxylate Openeye Name: dimethyl (2E)-4-(benzenesulfonyl)-2-benzylidene-cyclopentane-1,1-dicarboxylate CAS Name: (2E)-4-(benzenesulfonyl)-2-(phenylmethylene)cyclopentane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2E)-4-(benzenesulfonyl)-2-benzylidenecyclopentane-1,1-dicarboxylate Traditional Name: (2E)-2-benzal-4-besyl-cyclopentane-1,1-dicarboxylic acid dimethyl ester Formula: C22H22O6S MolecularWeight: 414.47148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(CC1=CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C\1(CC(C/C1=C\C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22O6S/c1-27-20(23)22(21(24)28-2)15-19(29(25,26)18-11-7-4-8-12-18)14-17(22)13-16-9-5-3-6-10-16/h3-13,19H,14-15H2,1-2H3/b17-13+