6-nitrooxyhexyl 2-(3-fluoranyl-4-phenyl-phenyl)-2-methyl-propanoate

Systemtic Name: 6-nitrooxyhexyl 2-(3-fluoranyl-4-phenyl-phenyl)-2-methyl-propanoate Openeye Name: 6-nitrooxyhexyl 2-(3-fluoro-4-phenyl-phenyl)-2-methyl-propanoate CAS Name: 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoate Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)-2-methyl-propionic acid 6-nitrooxyhexyl ester Formula: C22H26FNO5 MolecularWeight: 403.443943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO5/c1-22(2,21(25)28-14-8-3-4-9-15-29-24(26)27)18-12-13-19(20(23)16-18)17-10-6-5-7-11-17/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3