4-[1-pyridin-2-yl-4-(4-sulfophenyl)-2H-1,2,3-triazin-5-yl]benzenesulfonic acid

Systemtic Name: 4-[1-pyridin-2-yl-4-(4-sulfophenyl)-2H-1,2,3-triazin-5-yl]benzenesulfonic acid Openeye Name: 4-[1-(2-pyridyl)-4-(4-sulfophenyl)-2H-triazin-5-yl]benzenesulfonic acid CAS Name: 4-[1-(2-pyridinyl)-4-(4-sulfophenyl)-2H-triazin-5-yl]benzenesulfonic acid IUPAC Name: 4-[1-pyridin-2-yl-4-(4-sulfophenyl)-2H-triazin-5-yl]benzenesulfonic acid Traditional Name: 4-[1-(2-pyridyl)-4-(4-sulfophenyl)-2H-triazin-5-yl]besylic acid Formula: C20H16N4O6S2 MolecularWeight: 472.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C=C(C(=NN2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)N2C=C(C(=NN2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C20H16N4O6S2/c25-31(26,27)16-8-4-14(5-9-16)18-13-24(19-3-1-2-12-21-19)23-22-20(18)15-6-10-17(11-7-15)32(28,29)30/h1-13,23H,(H,25,26,27)(H,28,29,30)