[[3-(diphosphonomethyl)quinoxalin-2-yl]-phosphono-methyl]phosphonic acid

Systemtic Name: [[3-(diphosphonomethyl)quinoxalin-2-yl]-phosphono-methyl]phosphonic acid Openeye Name: [[3-(diphosphonomethyl)quinoxalin-2-yl]-phosphono-methyl]phosphonic acid CAS Name: [[3-(diphosphonomethyl)-2-quinoxalinyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[3-(diphosphonomethyl)quinoxalin-2-yl]-phosphonomethyl]phosphonic acid Traditional Name: [[3-(diphosphonomethyl)quinoxalin-2-yl]-phosphono-methyl]phosphonic acid Formula: C10H14N2O12P4 MolecularWeight: 478.119404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H14N2O12P4/c13-25(14,15)9(26(16,17)18)7-8(10(27(19,20)21)28(22,23)24)12-6-4-2-1-3-5(6)11-7/h1-4,9-10H,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)