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

Systemtic Name: 5-[3-pyridin-2-yl-6-(4-sulfofuran-2-yl)-1,2,4-triazin-5-yl]furan-3-sulfonic acid Openeye Name: 5-[3-(2-pyridyl)-6-(4-sulfo-2-furyl)-1,2,4-triazin-5-yl]furan-3-sulfonic acid CAS Name: 5-[3-(2-pyridinyl)-6-(4-sulfo-2-furanyl)-1,2,4-triazin-5-yl]-3-furansulfonic acid IUPAC Name: 5-[3-pyridin-2-yl-6-(4-sulfofuran-2-yl)-1,2,4-triazin-5-yl]furan-3-sulfonic acid Traditional Name: 5-[3-(2-pyridyl)-6-(4-sulfo-2-furyl)-1,2,4-triazin-5-yl]furan-3-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(=CO3)S(=O)(=O)O)C4=CC(=CO4)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC(=CO3)S(=O)(=O)O)C4=CC(=CO4)S(=O)(=O)O

InChI

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