4-(3-fluoranyl-4-octoxy-phenyl)-3-phenyl-benzoic acid

Systemtic Name: 4-(3-fluoranyl-4-octoxy-phenyl)-3-phenyl-benzoic acid Openeye Name: 4-(3-fluoro-4-octoxy-phenyl)-3-phenyl-benzoic acid CAS Name: 4-(3-fluoro-4-octoxyphenyl)-3-phenylbenzoic acid IUPAC Name: 4-(3-fluoro-4-octoxyphenyl)-3-phenylbenzoic acid Traditional Name: 4-(3-fluoro-4-octoxy-phenyl)-3-phenyl-benzoic acid Formula: C27H29FO3 MolecularWeight: 420.515763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=CC=C3)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C3=CC=CC=C3)F

InChI

InChI=1S/C27H29FO3/c1-2-3-4-5-6-10-17-31-26-16-14-21(19-25(26)28)23-15-13-22(27(29)30)18-24(23)20-11-8-7-9-12-20/h7-9,11-16,18-19H,2-6,10,17H2,1H3,(H,29,30)