4-[6-[5-(4-sulfophenyl)-1,2,4-triazin-3-yl]pyridin-3-yl]benzenesulfonic acid

Systemtic Name: 4-[6-[5-(4-sulfophenyl)-1,2,4-triazin-3-yl]pyridin-3-yl]benzenesulfonic acid Openeye Name: 4-[6-[5-(4-sulfophenyl)-1,2,4-triazin-3-yl]-3-pyridyl]benzenesulfonic acid CAS Name: 4-[6-[5-(4-sulfophenyl)-1,2,4-triazin-3-yl]-3-pyridinyl]benzenesulfonic acid IUPAC Name: 4-[6-[5-(4-sulfophenyl)-1,2,4-triazin-3-yl]pyridin-3-yl]benzenesulfonic acid Traditional Name: 4-[6-[5-(4-sulfophenyl)-1,2,4-triazin-3-yl]-3-pyridyl]besylic acid Formula: C20H14N4O6S2 MolecularWeight: 470.47836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(C=C2)C3=NC(=CN=N3)C4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(C=C2)C3=NC(=CN=N3)C4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H14N4O6S2/c25-31(26,27)16-6-1-13(2-7-16)15-5-10-18(21-11-15)20-23-19(12-22-24-20)14-3-8-17(9-4-14)32(28,29)30/h1-12H,(H,25,26,27)(H,28,29,30)