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

Systemtic Name: 4-phosphonooxy-2-[[3,4,5-tris(oxidanyl)oxan-2-yl]amino]benzoic acid Openeye Name: 4-phosphonooxy-2-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]benzoic acid CAS Name: 4-phosphonooxy-2-[(3,4,5-trihydroxy-2-oxanyl)amino]benzoic acid IUPAC Name: 4-phosphonooxy-2-[(3,4,5-trihydroxyoxan-2-yl)amino]benzoic acid Traditional Name: 4-phosphonooxy-2-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]benzoic acid Formula: C12H16NO10P MolecularWeight: 365.229901

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)NC2=C(C=CC(=C2)OP(=O)(O)O)C(=O)O)O)O)O

Isomeric SMILES

C1C(C(C(C(O1)NC2=C(C=CC(=C2)OP(=O)(O)O)C(=O)O)O)O)O

InChI

InChI=1S/C12H16NO10P/c14-8-4-22-11(10(16)9(8)15)13-7-3-5(23-24(19,20)21)1-2-6(7)12(17)18/h1-3,8-11,13-16H,4H2,(H,17,18)(H2,19,20,21)