4-methylpentyl 2,3,4-tris(fluoranyl)benzoate

Systemtic Name: 4-methylpentyl 2,3,4-tris(fluoranyl)benzoate Openeye Name: isohexyl 2,3,4-trifluorobenzoate CAS Name: 2,3,4-trifluorobenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2,3,4-trifluorobenzoate Traditional Name: 2,3,4-trifluorobenzoic acid isohexyl ester Formula: C13H15F3O2 MolecularWeight: 260.25221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=C(C(=C(C=C1)F)F)F

Isomeric SMILES

CC(C)CCCOC(=O)C1=C(C(=C(C=C1)F)F)F

InChI

InChI=1S/C13H15F3O2/c1-8(2)4-3-7-18-13(17)9-5-6-10(14)12(16)11(9)15/h5-6,8H,3-4,7H2,1-2H3