6-nitrooxyhexyl 2-[3-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: 6-nitrooxyhexyl 2-[3-(phenylcarbonyl)phenyl]propanoate Openeye Name: 6-nitrooxyhexyl 2-(3-benzoylphenyl)propanoate CAS Name: 2-(3-benzoylphenyl)propanoic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl 2-(3-benzoylphenyl)propanoate Traditional Name: 2-(3-benzoylphenyl)propionic acid 6-nitrooxyhexyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OCCCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OCCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C22H25NO6/c1-17(22(25)28-14-7-2-3-8-15-29-23(26)27)19-12-9-13-20(16-19)21(24)18-10-5-4-6-11-18/h4-6,9-13,16-17H,2-3,7-8,14-15H2,1H3