dibutyl 2-(4-bromophenyl)sulfonyl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: dibutyl 2-(4-bromophenyl)sulfonyl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dibutyl 2-(4-bromophenyl)sulfonyl-3,6-dioxo-cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2-(4-bromophenyl)sulfonyl-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 2-(4-bromophenyl)sulfonyl-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2-brosyl-3,6-diketo-cyclohexa-1,4-diene-1,4-dicarboxylic acid dibutyl ester Formula: C22H23BrO8S MolecularWeight: 527.38222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=CC(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OCCCC

InChI

InChI=1S/C22H23BrO8S/c1-3-5-11-30-21(26)16-13-17(24)18(22(27)31-12-6-4-2)20(19(16)25)32(28,29)15-9-7-14(23)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3