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

Systemtic Name: 5,6-diphenyl-4-(4-phenylpyridin-2-yl)-3H-1,2,4-triazine-1,2,3-trisulfonic acid Openeye Name: 5,6-diphenyl-4-(4-phenyl-2-pyridyl)-3H-1,2,4-triazine-1,2,3-trisulfonic acid CAS Name: 5,6-diphenyl-4-(4-phenyl-2-pyridinyl)-3H-1,2,4-triazine-1,2,3-trisulfonic acid IUPAC Name: 5,6-diphenyl-4-(4-phenylpyridin-2-yl)-3H-1,2,4-triazine-1,2,3-trisulfonic acid Traditional Name: 5,6-diphenyl-4-(4-phenyl-2-pyridyl)-3H-1,2,4-triazine-1,2,3-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)N3C(N(N(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=C2)N3C(N(N(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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