disodium 4-[1-pyridin-2-yl-4-(4-sulfonatophenyl)-2H-1,2,3-triazin-5-yl]benzenesulfonate

Systemtic Name: disodium 4-[1-pyridin-2-yl-4-(4-sulfonatophenyl)-2H-1,2,3-triazin-5-yl]benzenesulfonate Openeye Name: disodium 4-[1-(2-pyridyl)-4-(4-sulfonatophenyl)-2H-triazin-5-yl]benzenesulfonate CAS Name: disodium 4-[1-(2-pyridinyl)-4-(4-sulfonatophenyl)-2H-triazin-5-yl]benzenesulfonate IUPAC Name: disodium 4-[1-pyridin-2-yl-4-(4-sulfonatophenyl)-2H-triazin-5-yl]benzenesulfonate Traditional Name: disodium 4-[1-(2-pyridyl)-4-(4-sulfonatophenyl)-2H-triazin-5-yl]besylate Formula: C20H14N4Na2O6S2 MolecularWeight: 516.4579

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C20H16N4O6S2.2Na/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);;/q;2*+1/p-2