4-[2-[4-tert-butyl-3-(4-methylphenoxy)phenyl]ethynyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[2-[4-tert-butyl-3-(4-methylphenoxy)phenyl]ethynyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[2-[4-tert-butyl-3-(4-methylphenoxy)phenyl]ethynyl]-2-fluoro-benzoic acid CAS Name: 4-[2-[4-tert-butyl-3-(4-methylphenoxy)phenyl]ethynyl]-2-fluorobenzoic acid IUPAC Name: 4-[2-[4-tert-butyl-3-(4-methylphenoxy)phenyl]ethynyl]-2-fluorobenzoic acid Traditional Name: 4-[2-[4-tert-butyl-3-(4-methylphenoxy)phenyl]ethynyl]-2-fluoro-benzoic acid Formula: C26H23FO3 MolecularWeight: 402.457423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=CC(=C2)C#CC3=CC(=C(C=C3)C(=O)O)F)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=CC(=C2)C#CC3=CC(=C(C=C3)C(=O)O)F)C(C)(C)C

InChI

InChI=1S/C26H23FO3/c1-17-5-11-20(12-6-17)30-24-16-19(10-14-22(24)26(2,3)4)8-7-18-9-13-21(25(28)29)23(27)15-18/h5-6,9-16H,1-4H3,(H,28,29)