diethyl 3,6-bis(oxidanylidene)-2-phenethylsulfonyl-cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: diethyl 3,6-bis(oxidanylidene)-2-phenethylsulfonyl-cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: diethyl 3,6-dioxo-2-phenethylsulfonyl-cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 3,6-dioxo-2-phenethylsulfonylcyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3,6-dioxo-2-phenethylsulfonylcyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 3,6-diketo-2-phenethylsulfonyl-cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester Formula: C20H20O8S MolecularWeight: 420.433

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C(=C(C1=O)S(=O)(=O)CCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=O)C(=C(C1=O)S(=O)(=O)CCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H20O8S/c1-3-27-19(23)14-12-15(21)16(20(24)28-4-2)18(17(14)22)29(25,26)11-10-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3