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

Systemtic Name: dioctyl 2,5-bis-(4-methylphenyl)sulfonyl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dioctyl 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 dioctyl ester IUPAC Name: dioctyl 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 dioctyl ester Formula: C38H48O10S2 MolecularWeight: 728.91172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCCCCCCC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCCCCCCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C38H48O10S2/c1-5-7-9-11-13-15-25-47-37(41)31-33(39)36(50(45,46)30-23-19-28(4)20-24-30)32(38(42)48-26-16-14-12-10-8-6-2)34(40)35(31)49(43,44)29-21-17-27(3)18-22-29/h17-24H,5-16,25-26H2,1-4H3