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hexyl 3-nitro-5-(trifluoromethyl)benzoate

hexyl 3-nitro-5-(trifluoromethyl)benzoate

Systemtic Name:hexyl 3-nitro-5-(trifluoromethyl)benzoate
Openeye Name:hexyl 3-nitro-5-(trifluoromethyl)benzoate
CAS Name:3-nitro-5-(trifluoromethyl)benzoic acid hexyl ester
IUPAC Name:hexyl 3-nitro-5-(trifluoromethyl)benzoate
Traditional Name:3-nitro-5-(trifluoromethyl)benzoic acid hexyl ester
Formula: C14H16F3NO4
MolecularWeight: 319.27635
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H16F3NO4/c1-2-3-4-5-6-22-13(19)10-7-11(14(15,16)17)9-12(8-10)18(20)21/h7-9H,2-6H2,1H3


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