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

Systemtic Name: 2-[2-(1H-benzimidazol-2-yl)ethyl]-2-phosphono-butanedioic acid Openeye Name: 2-[2-(1H-benzimidazol-2-yl)ethyl]-2-phosphono-butanedioic acid CAS Name: 2-[2-(1H-benzimidazol-2-yl)ethyl]-2-phosphonobutanedioic acid IUPAC Name: 2-[2-(1H-benzimidazol-2-yl)ethyl]-2-phosphonobutanedioic acid Traditional Name: 2-[2-(1H-benzimidazol-2-yl)ethyl]-2-phosphono-succinic acid Formula: C13H15N2O7P MolecularWeight: 342.241161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C13H15N2O7P/c16-11(17)7-13(12(18)19,23(20,21)22)6-5-10-14-8-3-1-2-4-9(8)15-10/h1-4H,5-7H2,(H,14,15)(H,16,17)(H,18,19)(H2,20,21,22)