(4,6-diphosphono-1,3,5-triazin-2-yl)phosphonic acid

Systemtic Name: (4,6-diphosphono-1,3,5-triazin-2-yl)phosphonic acid Openeye Name: (4,6-diphosphono-1,3,5-triazin-2-yl)phosphonic acid CAS Name: (4,6-diphosphono-1,3,5-triazin-2-yl)phosphonic acid IUPAC Name: (4,6-diphosphono-1,3,5-triazin-2-yl)phosphonic acid Traditional Name: (4,6-diphosphono-s-triazin-2-yl)phosphonic acid Formula: C3H6N3O9P3 MolecularWeight: 321.015723

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Descriptors Computed from Structure

Canonical SMILES:

C1(=NC(=NC(=N1)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1(=NC(=NC(=N1)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C3H6N3O9P3/c7-16(8,9)1-4-2(17(10,11)12)6-3(5-1)18(13,14)15/h(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)