2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]phenyl]-2-fluoranyl-ethanoic acid

Systemtic Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]phenyl]-2-fluoranyl-ethanoic acid Openeye Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]phenyl]-2-fluoro-acetic acid CAS Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethynyl]phenyl]-2-fluoroacetic acid IUPAC Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxyphenyl)ethynyl]phenyl]-2-fluoroacetic acid Traditional Name: 2-[4-[2-(3,5-ditert-butyl-4-methoxy-phenyl)ethynyl]phenyl]-2-fluoro-acetic acid Formula: C25H29FO3 MolecularWeight: 396.494363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C#CC2=CC=C(C=C2)C(C(=O)O)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C#CC2=CC=C(C=C2)C(C(=O)O)F

InChI

InChI=1S/C25H29FO3/c1-24(2,3)19-14-17(15-20(22(19)29-7)25(4,5)6)9-8-16-10-12-18(13-11-16)21(26)23(27)28/h10-15,21H,1-7H3,(H,27,28)