2,3-bis(oxidanyl)butanedioic acid; 6,7-diphenylpyridazino[1,2-a]cinnoline

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 6,7-diphenylpyridazino[1,2-a]cinnoline Openeye Name: 2,3-dihydroxybutanedioic acid; 6,7-diphenylpyridazino[1,2-a]cinnoline CAS Name: 2,3-dihydroxybutanedioic acid; 6,7-diphenylpyridazino[1,2-a]cinnoline IUPAC Name: 2,3-dihydroxybutanedioic acid; 6,7-diphenylpyridazino[1,2-a]cinnoline Traditional Name: 6,7-diphenylpyridazino[1,2-a]cinnoline; tartaric acid Formula: C52H42N4O6 MolecularWeight: 818.91308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N3C=CC=CN3C4=CC=CC=C42)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C(N3C=CC=CN3C4=CC=CC=C42)C5=CC=CC=C5.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N3C=CC=CN3C4=CC=CC=C42)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C(N3C=CC=CN3C4=CC=CC=C42)C5=CC=CC=C5.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/2C24H18N2.C4H6O6/c2*1-3-11-19(12-4-1)23-21-15-7-8-16-22(21)25-17-9-10-18-26(25)24(23)20-13-5-2-6-14-20;5-1(3(7)8)2(6)4(9)10/h2*1-18H;1-2,5-6H,(H,7,8)(H,9,10)