2-fluoranyl-4-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoic acid

Systemtic Name: 2-fluoranyl-4-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoic acid Openeye Name: 2-fluoro-4-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]benzoic acid CAS Name: 2-fluoro-4-[2-(2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]benzoic acid IUPAC Name: 2-fluoro-4-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoic acid Traditional Name: 2-fluoro-4-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]benzoic acid Formula: C22H21FO3 MolecularWeight: 352.398743

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C1C=C(C=C2)C#CC3=CC(=C(C=C3)C(=O)O)F)(C)C)C

Isomeric SMILES

CC1(CC(OC2=C1C=C(C=C2)C#CC3=CC(=C(C=C3)C(=O)O)F)(C)C)C

InChI

InChI=1S/C22H21FO3/c1-21(2)13-22(3,4)26-19-10-8-14(11-17(19)21)5-6-15-7-9-16(20(24)25)18(23)12-15/h7-12H,13H2,1-4H3,(H,24,25)