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

Systemtic Name: dipropyl 2,5-bis-(4-methylphenyl)sulfonyl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dipropyl 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 dipropyl ester IUPAC Name: dipropyl 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 dipropyl ester Formula: C28H28O10S2 MolecularWeight: 588.64592

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC(=O)C1=C(C(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H28O10S2/c1-5-15-37-27(31)21-23(29)26(40(35,36)20-13-9-18(4)10-14-20)22(28(32)38-16-6-2)24(30)25(21)39(33,34)19-11-7-17(3)8-12-19/h7-14H,5-6,15-16H2,1-4H3