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2-(1H-imidazol-2-ylmethyl)-2,4-diphosphono-pentanedioic acid

2-(1H-imidazol-2-ylmethyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name:2-(1H-imidazol-2-ylmethyl)-2,4-diphosphono-pentanedioic acid
Openeye Name:2-(1H-imidazol-2-ylmethyl)-2,4-diphosphono-pentanedioic acid
CAS Name:2-(1H-imidazol-2-ylmethyl)-2,4-diphosphonopentanedioic acid
IUPAC Name:2-(1H-imidazol-2-ylmethyl)-2,4-diphosphonopentanedioic acid
Traditional Name:2-(1H-imidazol-2-ylmethyl)-2,4-diphosphono-glutaric acid
Formula: C9H14N2O10P2
MolecularWeight: 372.162382
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O


Isomeric SMILES

C1=CN=C(N1)CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O


InChI

InChI=1S/C9H14N2O10P2/c12-7(13)5(22(16,17)18)3-9(8(14)15,23(19,20)21)4-6-10-1-2-11-6/h1-2,5H,3-4H2,(H,10,11)(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)


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