2-(4-imidazol-1-ylbutyl)-3-phosphono-butanedioic acid

Systemtic Name: 2-(4-imidazol-1-ylbutyl)-3-phosphono-butanedioic acid Openeye Name: 2-(4-imidazol-1-ylbutyl)-3-phosphono-butanedioic acid CAS Name: 2-[4-(1-imidazolyl)butyl]-3-phosphonobutanedioic acid IUPAC Name: 2-(4-imidazol-1-ylbutyl)-3-phosphonobutanedioic acid Traditional Name: 2-(4-imidazol-1-ylbutyl)-3-phosphono-succinic acid Formula: C11H17N2O7P MolecularWeight: 320.235641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N2O7P/c14-10(15)8(9(11(16)17)21(18,19)20)3-1-2-5-13-6-4-12-7-13/h4,6-9H,1-3,5H2,(H,14,15)(H,16,17)(H2,18,19,20)