5-[3-pyridin-2-yl-5-(5-sulfofuran-3-yl)-1,2,4-triazin-6-yl]furan-2-sulfonic acid

Systemtic Name: 5-[3-pyridin-2-yl-5-(5-sulfofuran-3-yl)-1,2,4-triazin-6-yl]furan-2-sulfonic acid Openeye Name: 5-[3-(2-pyridyl)-5-(5-sulfo-3-furyl)-1,2,4-triazin-6-yl]furan-2-sulfonic acid CAS Name: 5-[3-(2-pyridinyl)-5-(5-sulfo-3-furanyl)-1,2,4-triazin-6-yl]-2-furansulfonic acid IUPAC Name: 5-[3-pyridin-2-yl-5-(5-sulfofuran-3-yl)-1,2,4-triazin-6-yl]furan-2-sulfonic acid Traditional Name: 5-[3-(2-pyridyl)-5-(5-sulfo-3-furyl)-1,2,4-triazin-6-yl]furan-2-sulfonic acid Formula: C16H10N4O8S2 MolecularWeight: 450.4026

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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=COC(=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)O)C4=COC(=C4)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)18-16(20-19-15)10-3-1-2-6-17-10/h1-8H,(H,21,22,23)(H,24,25,26)