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

Systemtic Name: dibutyl 2,5-bis-(4-methylphenyl)sulfonyl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dibutyl 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 dibutyl ester IUPAC Name: dibutyl 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 dibutyl ester Formula: C30H32O10S2 MolecularWeight: 616.69908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCCC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1=C(C(=O)C(=C(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C30H32O10S2/c1-5-7-17-39-29(33)23-25(31)28(42(37,38)22-15-11-20(4)12-16-22)24(30(34)40-18-8-6-2)26(32)27(23)41(35,36)21-13-9-19(3)10-14-21/h9-16H,5-8,17-18H2,1-4H3