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6-nitrooxyhexyl 2-[4-(phenylcarbonyl)phenyl]propanoate

6-nitrooxyhexyl 2-[4-(phenylcarbonyl)phenyl]propanoate

Systemtic Name:6-nitrooxyhexyl 2-[4-(phenylcarbonyl)phenyl]propanoate
Openeye Name:6-nitrooxyhexyl 2-(4-benzoylphenyl)propanoate
CAS Name:2-(4-benzoylphenyl)propanoic acid 6-nitrooxyhexyl ester
IUPAC Name:6-nitrooxyhexyl 2-(4-benzoylphenyl)propanoate
Traditional Name:2-(4-benzoylphenyl)propionic acid 6-nitrooxyhexyl ester
Formula: C22H25NO6
MolecularWeight: 399.437
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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