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

Systemtic Name: dibutyl 3,6-bis(oxidanylidene)-2-(phenylmethyl)sulfonyl-cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dibutyl 2-benzylsulfonyl-3,6-dioxo-cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 3,6-dioxo-2-(phenylmethyl)sulfonylcyclohexa-1,4-diene-1,4-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 2-benzylsulfonyl-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2-benzylsulfonyl-3,6-diketo-cyclohexa-1,4-diene-1,4-dicarboxylic acid dibutyl ester Formula: C23H26O8S MolecularWeight: 462.51274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=O)C(=C(C1=O)S(=O)(=O)CC2=CC=CC=C2)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)C1=CC(=O)C(=C(C1=O)S(=O)(=O)CC2=CC=CC=C2)C(=O)OCCCC

InChI

InChI=1S/C23H26O8S/c1-3-5-12-30-22(26)17-14-18(24)19(23(27)31-13-6-4-2)21(20(17)25)32(28,29)15-16-10-8-7-9-11-16/h7-11,14H,3-6,12-13,15H2,1-2H3