4-[2-(5-tert-butyl-2-phenoxy-phenyl)ethynyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[2-(5-tert-butyl-2-phenoxy-phenyl)ethynyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[2-(5-tert-butyl-2-phenoxy-phenyl)ethynyl]-2-fluoro-benzoic acid CAS Name: 4-[2-(5-tert-butyl-2-phenoxyphenyl)ethynyl]-2-fluorobenzoic acid IUPAC Name: 4-[2-(5-tert-butyl-2-phenoxyphenyl)ethynyl]-2-fluorobenzoic acid Traditional Name: 4-[2-(5-tert-butyl-2-phenoxy-phenyl)ethynyl]-2-fluoro-benzoic acid Formula: C25H21FO3 MolecularWeight: 388.430843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC2=CC=CC=C2)C#CC3=CC(=C(C=C3)C(=O)O)F

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC2=CC=CC=C2)C#CC3=CC(=C(C=C3)C(=O)O)F

InChI

InChI=1S/C25H21FO3/c1-25(2,3)19-12-14-23(29-20-7-5-4-6-8-20)18(16-19)11-9-17-10-13-21(24(27)28)22(26)15-17/h4-8,10,12-16H,1-3H3,(H,27,28)