5-[3-pyridin-2-yl-6-(5-sulfonatofuran-3-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate

Systemtic Name: 5-[3-pyridin-2-yl-6-(5-sulfonatofuran-3-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate Openeye Name: 5-[3-(2-pyridyl)-6-(5-sulfonato-3-furyl)-1,2,4-triazin-5-yl]furan-2-sulfonate CAS Name: 5-[3-(2-pyridinyl)-6-(5-sulfonato-3-furanyl)-1,2,4-triazin-5-yl]-2-furansulfonate IUPAC Name: 5-[3-pyridin-2-yl-6-(5-sulfonatofuran-3-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate Traditional Name: 5-[3-(2-pyridyl)-6-(5-sulfonato-3-furyl)-1,2,4-triazin-5-yl]furan-2-sulfonate Formula: C16H8N4O8S2-2 MolecularWeight: 448.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=COC(=C3)S(=O)(=O)[O-])C4=CC=C(O4)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=COC(=C3)S(=O)(=O)[O-])C4=CC=C(O4)S(=O)(=O)[O-]

InChI

InChI=1S/C16H10N4O8S2/c21-29(22,23)12-5-4-11(28-12)15-14(9-7-13(27-8-9)30(24,25)26)19-20-16(18-15)10-3-1-2-6-17-10/h1-8H,(H,21,22,23)(H,24,25,26)/p-2