2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol hydrate

Systemtic Name: 2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol hydrate Openeye Name: 2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol hydrate CAS Name: 2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol hydrate IUPAC Name: 2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol hydrate Traditional Name: 2-methylol-6-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol hydrate Formula: C12H17NO9 MolecularWeight: 319.26468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O.O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O.O

InChI

InChI=1S/C12H15NO8.H2O/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19;/h1-4,8-12,14-17H,5H2;1H2