3,4-bis(fluoranyl)-2-(4-pentylphenyl)benzoic acid

Systemtic Name: 3,4-bis(fluoranyl)-2-(4-pentylphenyl)benzoic acid Openeye Name: 3,4-difluoro-2-(4-pentylphenyl)benzoic acid CAS Name: 3,4-difluoro-2-(4-pentylphenyl)benzoic acid IUPAC Name: 3,4-difluoro-2-(4-pentylphenyl)benzoic acid Traditional Name: 2-(4-amylphenyl)-3,4-difluoro-benzoic acid Formula: C18H18F2O2 MolecularWeight: 304.331126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2F)F)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2F)F)C(=O)O

InChI

InChI=1S/C18H18F2O2/c1-2-3-4-5-12-6-8-13(9-7-12)16-14(18(21)22)10-11-15(19)17(16)20/h6-11H,2-5H2,1H3,(H,21,22)