sodium 4-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyamino]benzoate

Systemtic Name: sodium 4-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyamino]benzoate Openeye Name: sodium 4-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyamino]benzoate CAS Name: sodium 4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxyamino]benzoate IUPAC Name: sodium 4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyamino]benzoate Traditional Name: sodium 4-[(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxyamino]benzoate Formula: C13H16NNaO8 MolecularWeight: 337.25781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NOC2C(C(C(C(O2)CO)O)O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NOC2C(C(C(C(O2)CO)O)O)O.[Na+]

InChI

InChI=1S/C13H17NO8.Na/c15-5-8-9(16)10(17)11(18)13(21-8)22-14-7-3-1-6(2-4-7)12(19)20;/h1-4,8-11,13-18H,5H2,(H,19,20);/q;+1/p-1