octyl 3-nitro-5-(trifluoromethyl)benzoate

Systemtic Name: octyl 3-nitro-5-(trifluoromethyl)benzoate Openeye Name: octyl 3-nitro-5-(trifluoromethyl)benzoate CAS Name: 3-nitro-5-(trifluoromethyl)benzoic acid octyl ester IUPAC Name: octyl 3-nitro-5-(trifluoromethyl)benzoate Traditional Name: 3-nitro-5-(trifluoromethyl)benzoic acid octyl ester Formula: C16H20F3NO4 MolecularWeight: 347.32951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F3NO4/c1-2-3-4-5-6-7-8-24-15(21)12-9-13(16(17,18)19)11-14(10-12)20(22)23/h9-11H,2-8H2,1H3