[1-(4-hydroxyphenyl)-3-nitrooxy-propan-2-yl] nitrate

Systemtic Name: [1-(4-hydroxyphenyl)-3-nitrooxy-propan-2-yl] nitrate Openeye Name: [1-[(4-hydroxyphenyl)methyl]-2-nitrooxy-ethyl] nitrate CAS Name: nitric acid [1-(4-hydroxyphenyl)-3-nitrooxypropan-2-yl] ester IUPAC Name: [1-(4-hydroxyphenyl)-3-nitrooxypropan-2-yl] nitrate Traditional Name: nitric acid [1-(4-hydroxybenzyl)-2-nitrooxy-ethyl] ester Formula: C9H10N2O7 MolecularWeight: 258.1849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CO[N+](=O)[O-])O[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1CC(CO[N+](=O)[O-])O[N+](=O)[O-])O

InChI

InChI=1S/C9H10N2O7/c12-8-3-1-7(2-4-8)5-9(18-11(15)16)6-17-10(13)14/h1-4,9,12H,5-6H2