dimethyl 7-butyl-2-(phenylsulfonyl)bicyclo[4.2.0]octa-1,6-diene-4,4-dicarboxylate

Systemtic Name: dimethyl 7-butyl-2-(phenylsulfonyl)bicyclo[4.2.0]octa-1,6-diene-4,4-dicarboxylate Openeye Name: dimethyl 2-(benzenesulfonyl)-7-butyl-bicyclo[4.2.0]octa-1,6-diene-4,4-dicarboxylate CAS Name: 2-(benzenesulfonyl)-7-butylbicyclo[4.2.0]octa-1,6-diene-4,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(benzenesulfonyl)-7-butylbicyclo[4.2.0]octa-1,6-diene-4,4-dicarboxylate Traditional Name: 2-besyl-7-butyl-bicyclo[4.2.0]octa-1,6-diene-4,4-dicarboxylic acid dimethyl ester Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CC(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1=C2CC(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H26O6S/c1-4-5-9-15-12-17-18(15)13-22(20(23)27-2,21(24)28-3)14-19(17)29(25,26)16-10-7-6-8-11-16/h6-8,10-11H,4-5,9,12-14H2,1-3H3