2-[[3,4,5-tris(oxidanyl)-6-phosphono-oxan-2-yl]amino]benzoic acid

Systemtic Name: 2-[[3,4,5-tris(oxidanyl)-6-phosphono-oxan-2-yl]amino]benzoic acid Openeye Name: 2-[(3,4,5-trihydroxy-6-phosphono-tetrahydropyran-2-yl)amino]benzoic acid CAS Name: 2-[(3,4,5-trihydroxy-6-phosphono-2-oxanyl)amino]benzoic acid IUPAC Name: 2-[(3,4,5-trihydroxy-6-phosphonooxan-2-yl)amino]benzoic acid Traditional Name: 2-[(3,4,5-trihydroxy-6-phosphono-tetrahydropyran-2-yl)amino]benzoic acid Formula: C12H16NO9P MolecularWeight: 349.230501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2C(C(C(C(O2)P(=O)(O)O)O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2C(C(C(C(O2)P(=O)(O)O)O)O)O

InChI

InChI=1S/C12H16NO9P/c14-7-8(15)10(22-12(9(7)16)23(19,20)21)13-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,12-16H,(H,17,18)(H2,19,20,21)