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

Systemtic Name: 4-[[4,5,6-tris(oxidanyl)-2-(4H-pyran-2-yl)oxan-3-yl]amino]benzoic acid Openeye Name: 4-[[4,5,6-trihydroxy-2-(4H-pyran-2-yl)tetrahydropyran-3-yl]amino]benzoic acid CAS Name: 4-[[4,5,6-trihydroxy-2-(4H-pyran-2-yl)-3-oxanyl]amino]benzoic acid IUPAC Name: 4-[[4,5,6-trihydroxy-2-(4H-pyran-2-yl)oxan-3-yl]amino]benzoic acid Traditional Name: 4-[[4,5,6-trihydroxy-2-(4H-pyran-2-yl)tetrahydropyran-3-yl]amino]benzoic acid Formula: C17H19NO7 MolecularWeight: 349.33526

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Descriptors Computed from Structure

Canonical SMILES:

C1C=COC(=C1)C2C(C(C(C(O2)O)O)O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C=COC(=C1)C2C(C(C(C(O2)O)O)O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H19NO7/c19-13-12(18-10-6-4-9(5-7-10)16(21)22)15(25-17(23)14(13)20)11-3-1-2-8-24-11/h2-8,12-15,17-20,23H,1H2,(H,21,22)