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2-(1H-imidazol-5-ylmethyl)-3-phosphono-butanedioic acid

2-(1H-imidazol-5-ylmethyl)-3-phosphono-butanedioic acid

Systemtic Name:2-(1H-imidazol-5-ylmethyl)-3-phosphono-butanedioic acid
Openeye Name:2-(1H-imidazol-5-ylmethyl)-3-phosphono-butanedioic acid
CAS Name:2-(1H-imidazol-5-ylmethyl)-3-phosphonobutanedioic acid
IUPAC Name:2-(1H-imidazol-5-ylmethyl)-3-phosphonobutanedioic acid
Traditional Name:2-(1H-imidazol-5-ylmethyl)-3-phosphono-succinic acid
Formula: C8H11N2O7P
MolecularWeight: 278.155901
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H11N2O7P/c11-7(12)5(1-4-2-9-3-10-4)6(8(13)14)18(15,16)17/h2-3,5-6H,1H2,(H,9,10)(H,11,12)(H,13,14)(H2,15,16,17)


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