5-[[3,6-bis(oxidanylidene)-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]benzene-1,3-disulfonic acid

Systemtic Name: 5-[[3,6-bis(oxidanylidene)-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]benzene-1,3-disulfonic acid Openeye Name: 5-[(3,6-dioxo-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]benzene-1,3-disulfonic acid CAS Name: 5-[(3,6-dioxo-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]benzene-1,3-disulfonic acid IUPAC Name: 5-[(3,6-dioxo-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]benzene-1,3-disulfonic acid Traditional Name: 5-[(3,6-diketo-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]benzene-1,3-disulfonic acid Formula: C25H18N2O8S2 MolecularWeight: 538.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=C(N(C3=O)CC4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)C5=CC=CC=C5)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=C(N(C3=O)CC4=CC(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)C5=CC=CC=C5)C(=O)N2

InChI

InChI=1S/C25H18N2O8S2/c28-24-21-20(22(26-24)16-7-3-1-4-8-16)25(29)27(23(21)17-9-5-2-6-10-17)14-15-11-18(36(30,31)32)13-19(12-15)37(33,34)35/h1-13H,14H2,(H,26,28)(H,30,31,32)(H,33,34,35)