dihexyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate

Systemtic Name: dihexyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate Openeye Name: dihexyl 2-(3-fluoro-4-nitro-phenyl)-2-methyl-propanedioate CAS Name: 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioic acid dihexyl ester IUPAC Name: dihexyl 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioate Traditional Name: 2-(3-fluoro-4-nitro-phenyl)-2-methyl-malonic acid dihexyl ester Formula: C22H32FNO6 MolecularWeight: 425.490983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCCCCC

InChI

InChI=1S/C22H32FNO6/c1-4-6-8-10-14-29-20(25)22(3,21(26)30-15-11-9-7-5-2)17-12-13-19(24(27)28)18(23)16-17/h12-13,16H,4-11,14-15H2,1-3H3