dicyclohexyl 2,5-bis-(4-methylphenyl)sulfonyl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: dicyclohexyl 2,5-bis-(4-methylphenyl)sulfonyl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dicyclohexyl 3,6-dioxo-2,5-bis(p-tolylsulfonyl)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis-(4-methylphenyl)sulfonyl-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 2,5-bis-(4-methylphenyl)sulfonyl-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 3,6-diketo-2,5-ditosyl-cyclohexa-1,4-diene-1,4-dicarboxylic acid dicyclohexyl ester Formula: C34H36O10S2 MolecularWeight: 668.77364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=O)C(=C(C2=O)C(=O)OC3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=O)C(=C(C2=O)C(=O)OC3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC5CCCCC5

InChI

InChI=1S/C34H36O10S2/c1-21-13-17-25(18-14-21)45(39,40)31-27(33(37)43-23-9-5-3-6-10-23)30(36)32(46(41,42)26-19-15-22(2)16-20-26)28(29(31)35)34(38)44-24-11-7-4-8-12-24/h13-20,23-24H,3-12H2,1-2H3