[azanyl(phosphono)methyl]phosphonic acid; 1-phosphonoethylphosphonic acid; phosphonomethylphosphonic acid

Systemtic Name: [azanyl(phosphono)methyl]phosphonic acid; 1-phosphonoethylphosphonic acid; phosphonomethylphosphonic acid Openeye Name: [amino(phosphono)methyl]phosphonic acid; 1-phosphonoethylphosphonic acid; phosphonomethylphosphonic acid CAS Name: [amino(phosphono)methyl]phosphonic acid; 1-phosphonoethylphosphonic acid; phosphonomethylphosphonic acid IUPAC Name: [amino(phosphono)methyl]phosphonic acid; 1-phosphonoethylphosphonic acid; phosphonomethylphosphonic acid Traditional Name: [amino(phosphono)methyl]phosphonic acid; 1-phosphonoethylphosphonic acid; phosphonomethylphosphonic acid Formula: C4H21NO18P6 MolecularWeight: 557.048006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C2H8O6P2.CH7NO6P2.CH6O6P2/c1-2(9(3,4)5)10(6,7)8;2-1(9(3,4)5)10(6,7)8;2-8(3,4)1-9(5,6)7/h2H,1H3,(H2,3,4,5)(H2,6,7,8);1H,2H2,(H2,3,4,5)(H2,6,7,8);1H2,(H2,2,3,4)(H2,5,6,7)