5,6-diphenyl-3-(4-phenylpyridin-2-yl)-4H-1,2,4-triazine-3,5,6-trisulfonic acid

Systemtic Name: 5,6-diphenyl-3-(4-phenylpyridin-2-yl)-4H-1,2,4-triazine-3,5,6-trisulfonic acid Openeye Name: 5,6-diphenyl-3-(4-phenyl-2-pyridyl)-4H-1,2,4-triazine-3,5,6-trisulfonic acid CAS Name: 5,6-diphenyl-3-(4-phenyl-2-pyridinyl)-4H-1,2,4-triazine-3,5,6-trisulfonic acid IUPAC Name: 5,6-diphenyl-3-(4-phenylpyridin-2-yl)-4H-1,2,4-triazine-3,5,6-trisulfonic acid Traditional Name: 5,6-diphenyl-3-(4-phenyl-2-pyridyl)-4H-1,2,4-triazine-3,5,6-trisulfonic acid Formula: C26H22N4O9S3 MolecularWeight: 630.66928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=C2)C3(NC(C(N=N3)(C4=CC=CC=C4)S(=O)(=O)O)(C5=CC=CC=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=C2)C3(NC(C(N=N3)(C4=CC=CC=C4)S(=O)(=O)O)(C5=CC=CC=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H22N4O9S3/c31-40(32,33)24(21-12-6-2-7-13-21)25(41(34,35)36,22-14-8-3-9-15-22)29-30-26(28-24,42(37,38)39)23-18-20(16-17-27-23)19-10-4-1-5-11-19/h1-18,28H,(H,31,32,33)(H,34,35,36)(H,37,38,39)