2-[2-(1H-imidazol-2-yl)ethyl]-3-phosphono-butanedioic acid

Systemtic Name: 2-[2-(1H-imidazol-2-yl)ethyl]-3-phosphono-butanedioic acid Openeye Name: 2-[2-(1H-imidazol-2-yl)ethyl]-3-phosphono-butanedioic acid CAS Name: 2-[2-(1H-imidazol-2-yl)ethyl]-3-phosphonobutanedioic acid IUPAC Name: 2-[2-(1H-imidazol-2-yl)ethyl]-3-phosphonobutanedioic acid Traditional Name: 2-[2-(1H-imidazol-2-yl)ethyl]-3-phosphono-succinic acid Formula: C9H13N2O7P MolecularWeight: 292.182481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N2O7P/c12-8(13)5(1-2-6-10-3-4-11-6)7(9(14)15)19(16,17)18/h3-5,7H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H2,16,17,18)