trimethyl 7a-methyl-2-(4-methylphenyl)sulfonyl-3,7-dihydro-1H-isoindole-4,5,6-tricarboxylate

Systemtic Name: trimethyl 7a-methyl-2-(4-methylphenyl)sulfonyl-3,7-dihydro-1H-isoindole-4,5,6-tricarboxylate Openeye Name: trimethyl 7a-methyl-2-(p-tolylsulfonyl)-3,7-dihydro-1H-isoindole-4,5,6-tricarboxylate CAS Name: 7a-methyl-2-(4-methylphenyl)sulfonyl-3,7-dihydro-1H-isoindole-4,5,6-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 7a-methyl-2-(4-methylphenyl)sulfonyl-3,7-dihydro-1H-isoindole-4,5,6-tricarboxylate Traditional Name: 7a-methyl-2-tosyl-3,7-dihydro-1H-isoindole-4,5,6-tricarboxylic acid trimethyl ester Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C(=C(CC3(C2)C)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C(=C(CC3(C2)C)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H25NO8S/c1-13-6-8-14(9-7-13)32(27,28)23-11-16-18(21(26)31-5)17(20(25)30-4)15(19(24)29-3)10-22(16,2)12-23/h6-9H,10-12H2,1-5H3