5-[[9,10-bis(oxidanylidene)anthracen-2-yl]methyl]-3-(carboxymethyl)-1-(2-methylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]methyl]-3-(carboxymethyl)-1-(2-methylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(carboxymethyl)-5-[(9,10-dioxo-2-anthryl)methyl]-1-(o-tolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(carboxymethyl)-5-[(9,10-dioxo-2-anthracenyl)methyl]-1-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(carboxymethyl)-5-[(9,10-dioxoanthracen-2-yl)methyl]-1-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(carboxymethyl)-5-[(9,10-diketo-2-anthryl)methyl]-4,6-diketo-1-(o-tolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C31H24N2O8 MolecularWeight: 552.53086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C(N2)(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C(N2)(CC(=O)O)C(=O)O

InChI

InChI=1S/C31H24N2O8/c1-15-6-2-3-7-17(15)25-23-24(31(32-25,30(40)41)13-22(34)35)29(39)33(28(23)38)14-16-10-11-20-21(12-16)27(37)19-9-5-4-8-18(19)26(20)36/h2-12,23-25,32H,13-14H2,1H3,(H,34,35)(H,40,41)