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

Systemtic Name: 5-[3-phenyl-6-(5-sulfonatofuran-3-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate Openeye Name: 5-[3-phenyl-6-(5-sulfonato-3-furyl)-1,2,4-triazin-5-yl]furan-2-sulfonate CAS Name: 5-[3-phenyl-6-(5-sulfonato-3-furanyl)-1,2,4-triazin-5-yl]-2-furansulfonate IUPAC Name: 5-[3-phenyl-6-(5-sulfonatofuran-3-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate Traditional Name: 5-[3-phenyl-6-(5-sulfonato-3-furyl)-1,2,4-triazin-5-yl]furan-2-sulfonate Formula: C17H9N3O8S2-2 MolecularWeight: 447.39866

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H11N3O8S2/c21-29(22,23)13-7-6-12(28-13)16-15(11-8-14(27-9-11)30(24,25)26)19-20-17(18-16)10-4-2-1-3-5-10/h1-9H,(H,21,22,23)(H,24,25,26)/p-2