[3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(1H-imidazol-5-yl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(1H-imidazol-5-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(1H-imidazol-5-yl)-1-phosphono-propyl]phosphonic acid Formula: C6H12N2O6P2 MolecularWeight: 270.116802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12N2O6P2/c9-15(10,11)6(16(12,13)14)2-1-5-3-7-4-8-5/h3-4,6H,1-2H2,(H,7,8)(H2,9,10,11)(H2,12,13,14)