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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CN=C(C=C2)C3=C(C(=CC=C3)S(=O)(=O)O)C4=CN=NC=N4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CN=C(C=C2)C3=C(C(=CC=C3)S(=O)(=O)O)C4=CN=NC=N4)S(=O)(=O)O

InChI

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