3-fluoranyl-4-(4-octylphenyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-(4-octylphenyl)benzoic acid Openeye Name: 3-fluoro-4-(4-octylphenyl)benzoic acid CAS Name: 3-fluoro-4-(4-octylphenyl)benzoic acid IUPAC Name: 3-fluoro-4-(4-octylphenyl)benzoic acid Traditional Name: 3-fluoro-4-(4-octylphenyl)benzoic acid Formula: C21H25FO2 MolecularWeight: 328.420403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)F

InChI

InChI=1S/C21H25FO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-14-13-18(21(23)24)15-20(19)22/h9-15H,2-8H2,1H3,(H,23,24)