4-methylpentyl 2,6-bis(fluoranyl)benzoate

Systemtic Name: 4-methylpentyl 2,6-bis(fluoranyl)benzoate Openeye Name: isohexyl 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid isohexyl ester Formula: C13H16F2O2 MolecularWeight: 242.261746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=C(C=CC=C1F)F

Isomeric SMILES

CC(C)CCCOC(=O)C1=C(C=CC=C1F)F

InChI

InChI=1S/C13H16F2O2/c1-9(2)5-4-8-17-13(16)12-10(14)6-3-7-11(12)15/h3,6-7,9H,4-5,8H2,1-2H3