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

Systemtic Name: 6-(hydroxymethyl)-2-nitro-4,5-bis(oxidanyl)-3-phenoxy-oxan-2-olate Openeye Name: 4,5-dihydroxy-6-(hydroxymethyl)-2-nitro-3-phenoxy-tetrahydropyran-2-olate CAS Name: 4,5-dihydroxy-6-(hydroxymethyl)-2-nitro-3-phenoxy-2-oxanolate IUPAC Name: 4,5-dihydroxy-6-(hydroxymethyl)-2-nitro-3-phenoxyoxan-2-olate Traditional Name: 4,5-dihydroxy-6-methylol-2-nitro-3-phenoxy-tetrahydropyran-2-olate Formula: C12H14NO8- MolecularWeight: 300.24146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14NO8/c14-6-8-9(15)10(16)11(12(17,21-8)13(18)19)20-7-4-2-1-3-5-7/h1-5,8-11,14-16H,6H2/q-1