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

Systemtic Name: disodium 5-[3-pyridin-2-yl-6-(5-sulfonatofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate hydrate Openeye Name: disodium 5-[3-(2-pyridyl)-6-(5-sulfonato-2-furyl)-1,2,4-triazin-5-yl]furan-2-sulfonate hydrate CAS Name: disodium 5-[3-(2-pyridinyl)-6-(5-sulfonato-2-furanyl)-1,2,4-triazin-5-yl]-2-furansulfonate hydrate IUPAC Name: disodium 5-[3-pyridin-2-yl-6-(5-sulfonatofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate hydrate Traditional Name: disodium 5-[3-(2-pyridyl)-6-(5-sulfonato-2-furyl)-1,2,4-triazin-5-yl]furan-2-sulfonate hydrate Formula: C16H10N4Na2O9S2 MolecularWeight: 512.38154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)[O-])C4=CC=C(O4)S(=O)(=O)[O-].O.[Na+].[Na+]

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)[O-])C4=CC=C(O4)S(=O)(=O)[O-].O.[Na+].[Na+]

InChI

InChI=1S/C16H10N4O8S2.2Na.H2O/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9;;;/h1-8H,(H,21,22,23)(H,24,25,26);;;1H2/q;2*+1;/p-2