(2-nitro-4-octan-2-yloxy-phenyl)methyl nitrate

Systemtic Name: (2-nitro-4-octan-2-yloxy-phenyl)methyl nitrate Openeye Name: [4-(1-methylheptoxy)-2-nitro-phenyl]methyl nitrate CAS Name: nitric acid (2-nitro-4-octan-2-yloxyphenyl)methyl ester IUPAC Name: (2-nitro-4-octan-2-yloxyphenyl)methyl nitrate Traditional Name: nitric acid [4-(1-methylheptoxy)-2-nitro-benzyl] ester Formula: C15H22N2O6 MolecularWeight: 326.34498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC(=C(C=C1)CO[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=CC(=C(C=C1)CO[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O6/c1-3-4-5-6-7-12(2)23-14-9-8-13(11-22-17(20)21)15(10-14)16(18)19/h8-10,12H,3-7,11H2,1-2H3