bis(4-methylpentyl) 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCCC(C)C

Isomeric SMILES

CC(C)CCCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCCCC(C)C

InChI

InChI=1S/C22H32FNO6/c1-15(2)8-6-12-29-20(25)22(5,21(26)30-13-7-9-16(3)4)17-10-11-19(24(27)28)18(23)14-17/h10-11,14-16H,6-9,12-13H2,1-5H3