[1-(4-methylphenyl)-3-nitrooxy-propyl] nitrate

Systemtic Name: [1-(4-methylphenyl)-3-nitrooxy-propyl] nitrate Openeye Name: [3-nitrooxy-1-(p-tolyl)propyl] nitrate CAS Name: nitric acid [1-(4-methylphenyl)-3-nitrooxypropyl] ester IUPAC Name: [1-(4-methylphenyl)-3-nitrooxypropyl] nitrate Traditional Name: nitric acid [3-nitrooxy-1-(p-tolyl)propyl] ester Formula: C10H12N2O6 MolecularWeight: 256.21208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CCO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O6/c1-8-2-4-9(5-3-8)10(18-12(15)16)6-7-17-11(13)14/h2-5,10H,6-7H2,1H3