2-[[2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]amino]benzoic acid

Systemtic Name: 2-[[2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]amino]benzoic acid Openeye Name: 2-[(2,3,4-trihydroxy-5-phosphonooxy-pentyl)amino]benzoic acid CAS Name: 2-[(2,3,4-trihydroxy-5-phosphonooxypentyl)amino]benzoic acid IUPAC Name: 2-[(2,3,4-trihydroxy-5-phosphonooxypentyl)amino]benzoic acid Traditional Name: 2-[(2,3,4-trihydroxy-5-phosphonooxy-pentyl)amino]benzoic acid Formula: C12H18NO9P MolecularWeight: 351.246381

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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)