6-(hydroxymethyl)-3-(2-methoxy-4-nitro-phenoxy)-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 6-(hydroxymethyl)-3-(2-methoxy-4-nitro-phenoxy)-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-(2-methoxy-4-nitro-phenoxy)tetrahydropyran-2-olate CAS Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-(2-methoxy-4-nitrophenoxy)-2-oxanolate IUPAC Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-(2-methoxy-4-nitrophenoxy)oxan-2-olate Traditional Name: 4,5-dihydroxy-3-(2-methoxy-4-nitro-phenoxy)-6-methylol-tetrahydropyran-2-olate Formula: C13H16NO9- MolecularWeight: 330.26744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])OC2C(C(C(OC2[O-])CO)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])OC2C(C(C(OC2[O-])CO)O)O

InChI

InChI=1S/C13H16NO9/c1-21-8-4-6(14(19)20)2-3-7(8)22-12-11(17)10(16)9(5-15)23-13(12)18/h2-4,9-13,15-17H,5H2,1H3/q-1