[2-(5-methyl-1H-imidazol-4-yl)-1-oxidanyl-1-phosphonato-ethyl]phosphonic acid; tris(hydroxymethyl)-methyl-azanium

Systemtic Name: [2-(5-methyl-1H-imidazol-4-yl)-1-oxidanyl-1-phosphonato-ethyl]phosphonic acid; tris(hydroxymethyl)-methyl-azanium Openeye Name: [1-hydroxy-2-(5-methyl-1H-imidazol-4-yl)-1-phosphonato-ethyl]phosphonic acid; tris(hydroxymethyl)-methyl-ammonium CAS Name: [1-hydroxy-2-(5-methyl-1H-imidazol-4-yl)-1-phosphonatoethyl]phosphonic acid; tris(hydroxymethyl)-methylammonium IUPAC Name: [1-hydroxy-2-(5-methyl-1H-imidazol-4-yl)-1-phosphonatoethyl]phosphonic acid; tris(hydroxymethyl)-methylazanium Traditional Name: [1-hydroxy-2-(5-methyl-1H-imidazol-4-yl)-1-phosphonato-ethyl]phosphonic acid; methyl(trimethylol)ammonium Formula: C14H34N4O13P2 MolecularWeight: 528.386282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC(O)(P(=O)(O)O)P(=O)([O-])[O-].C[N+](CO)(CO)CO.C[N+](CO)(CO)CO

Isomeric SMILES

CC1=C(N=CN1)CC(O)(P(=O)(O)O)P(=O)([O-])[O-].C[N+](CO)(CO)CO.C[N+](CO)(CO)CO

InChI

InChI=1S/C6H12N2O7P2.2C4H12NO3/c1-4-5(8-3-7-4)2-6(9,16(10,11)12)17(13,14)15;2*1-5(2-6,3-7)4-8/h3,9H,2H2,1H3,(H,7,8)(H2,10,11,12)(H2,13,14,15);2*6-8H,2-4H2,1H3/q;2*+1/p-2