2-[2-(5-phosphonofuran-2-yl)-3H-benzimidazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(5-phosphonofuran-2-yl)-3H-benzimidazol-5-yl]ethanoic acid Openeye Name: 2-[2-(5-phosphono-2-furyl)-3H-benzimidazol-5-yl]acetic acid CAS Name: 2-[2-(5-phosphono-2-furanyl)-3H-benzimidazol-5-yl]acetic acid IUPAC Name: 2-[2-(5-phosphonofuran-2-yl)-3H-benzimidazol-5-yl]acetic acid Traditional Name: 2-[2-(5-phosphono-2-furyl)-3H-benzimidazol-5-yl]acetic acid Formula: C13H11N2O6P MolecularWeight: 322.210001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC(=O)O)NC(=N2)C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

C1=CC2=C(C=C1CC(=O)O)NC(=N2)C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C13H11N2O6P/c16-11(17)6-7-1-2-8-9(5-7)15-13(14-8)10-3-4-12(21-10)22(18,19)20/h1-5H,6H2,(H,14,15)(H,16,17)(H2,18,19,20)