2-(1H-imidazol-2-ylmethyl)-3-phosphono-butanedioic acid

Systemtic Name: 2-(1H-imidazol-2-ylmethyl)-3-phosphono-butanedioic acid Openeye Name: 2-(1H-imidazol-2-ylmethyl)-3-phosphono-butanedioic acid CAS Name: 2-(1H-imidazol-2-ylmethyl)-3-phosphonobutanedioic acid IUPAC Name: 2-(1H-imidazol-2-ylmethyl)-3-phosphonobutanedioic acid Traditional Name: 2-(1H-imidazol-2-ylmethyl)-3-phosphono-succinic acid Formula: C8H11N2O7P MolecularWeight: 278.155901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N2O7P/c11-7(12)4(3-5-9-1-2-10-5)6(8(13)14)18(15,16)17/h1-2,4,6H,3H2,(H,9,10)(H,11,12)(H,13,14)(H2,15,16,17)