3,5-bis(fluoranyl)-4-(3-methylbutyl)benzoic acid

Systemtic Name: 3,5-bis(fluoranyl)-4-(3-methylbutyl)benzoic acid Openeye Name: 3,5-difluoro-4-isopentyl-benzoic acid CAS Name: 3,5-difluoro-4-(3-methylbutyl)benzoic acid IUPAC Name: 3,5-difluoro-4-(3-methylbutyl)benzoic acid Traditional Name: 3,5-difluoro-4-isoamyl-benzoic acid Formula: C12H14F2O2 MolecularWeight: 228.235166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=C(C=C1F)C(=O)O)F

Isomeric SMILES

CC(C)CCC1=C(C=C(C=C1F)C(=O)O)F

InChI

InChI=1S/C12H14F2O2/c1-7(2)3-4-9-10(13)5-8(12(15)16)6-11(9)14/h5-7H,3-4H2,1-2H3,(H,15,16)