tetramethyl (1E,3E)-1-(4-methylphenyl)sulfonylsulfanyl-4-sulfanyl-buta-1,3-diene-1,2,3,4-tetracarboxylate

Systemtic Name: tetramethyl (1E,3E)-1-(4-methylphenyl)sulfonylsulfanyl-4-sulfanyl-buta-1,3-diene-1,2,3,4-tetracarboxylate Openeye Name: tetramethyl (1E,3E)-1-(p-tolylsulfonylsulfanyl)-4-sulfanyl-buta-1,3-diene-1,2,3,4-tetracarboxylate CAS Name: (1E,3E)-1-mercapto-4-[(4-methylphenyl)sulfonylthio]buta-1,3-diene-1,2,3,4-tetracarboxylic acid tetramethyl ester IUPAC Name: tetramethyl (1E,3E)-1-(4-methylphenyl)sulfonylsulfanyl-4-sulfanylbuta-1,3-diene-1,2,3,4-tetracarboxylate Traditional Name: (1E,3E)-1-mercapto-4-(tosylthio)buta-1,3-diene-1,2,3,4-tetracarboxylic acid tetramethyl ester Formula: C19H20O10S3 MolecularWeight: 504.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC(=C(C(=C(C(=O)OC)S)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)S/C(=C(\C(=C(\C(=O)OC)/S)\C(=O)OC)/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C19H20O10S3/c1-10-6-8-11(9-7-10)32(24,25)31-15(19(23)29-5)13(17(21)27-3)12(16(20)26-2)14(30)18(22)28-4/h6-9,30H,1-5H3/b14-12+,15-13+