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

Systemtic Name: dihexyl 2-(4-methylphenyl)sulfonyl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dihexyl 3,6-dioxo-2-(p-tolylsulfonyl)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylic acid dihexyl ester IUPAC Name: dihexyl 2-(4-methylphenyl)sulfonyl-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 3,6-diketo-2-tosyl-cyclohexa-1,4-diene-1,4-dicarboxylic acid dihexyl ester Formula: C27H34O8S MolecularWeight: 518.61906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCCCCC

InChI

InChI=1S/C27H34O8S/c1-4-6-8-10-16-34-26(30)21-18-22(28)23(27(31)35-17-11-9-7-5-2)25(24(21)29)36(32,33)20-14-12-19(3)13-15-20/h12-15,18H,4-11,16-17H2,1-3H3