3-(2-acetyloxy-2-nitrooxy-pentyl)benzoate

Systemtic Name: 3-(2-acetyloxy-2-nitrooxy-pentyl)benzoate Openeye Name: 3-(2-acetoxy-2-nitrooxy-pentyl)benzoate CAS Name: 3-(2-acetyloxy-2-nitrooxypentyl)benzoate IUPAC Name: 3-(2-acetyloxy-2-nitrooxypentyl)benzoate Traditional Name: 3-(2-acetoxy-2-nitrooxy-pentyl)benzoate Formula: C14H16NO7- MolecularWeight: 310.27934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO7/c1-3-7-14(21-10(2)16,22-15(19)20)9-11-5-4-6-12(8-11)13(17)18/h4-6,8H,3,7,9H2,1-2H3,(H,17,18)/p-1