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

Systemtic Name: sodium 4-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyamino]benzoate Openeye Name: sodium 4-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxyamino]benzoate CAS Name: sodium 4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxyamino]benzoate IUPAC Name: sodium 4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyamino]benzoate Traditional Name: sodium 4-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxyamino]benzoate Formula: C13H16NNaO7 MolecularWeight: 321.25841

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)ONC2=CC=C(C=C2)C(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

CC1C(C(C(C(O1)ONC2=CC=C(C=C2)C(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C13H17NO7.Na/c1-6-9(15)10(16)11(17)13(20-6)21-14-8-4-2-7(3-5-8)12(18)19;/h2-6,9-11,13-17H,1H3,(H,18,19);/q;+1/p-1