2-[[2,3,4-tris(oxidanyl)-5-phosphonatooxy-pentyl]amino]benzoate

Systemtic Name: 2-[[2,3,4-tris(oxidanyl)-5-phosphonatooxy-pentyl]amino]benzoate Openeye Name: 2-[(2,3,4-trihydroxy-5-phosphonatooxy-pentyl)amino]benzoate CAS Name: 2-[(2,3,4-trihydroxy-5-phosphonatooxypentyl)amino]benzoate IUPAC Name: 2-[(2,3,4-trihydroxy-5-phosphonatooxypentyl)amino]benzoate Traditional Name: 2-[(2,3,4-trihydroxy-5-phosphato-pentyl)amino]benzoate Formula: C12H15NO9P-3 MolecularWeight: 348.222561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NCC(C(C(COP(=O)([O-])[O-])O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NCC(C(C(COP(=O)([O-])[O-])O)O)O

InChI

InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/p-3