4-[2-(2,2-dimethyl-4-phenyl-chromen-6-yl)ethynyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[2-(2,2-dimethyl-4-phenyl-chromen-6-yl)ethynyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[2-(2,2-dimethyl-4-phenyl-chromen-6-yl)ethynyl]-2-fluoro-benzoic acid CAS Name: 4-[2-(2,2-dimethyl-4-phenyl-1-benzopyran-6-yl)ethynyl]-2-fluorobenzoic acid IUPAC Name: 4-[2-(2,2-dimethyl-4-phenylchromen-6-yl)ethynyl]-2-fluorobenzoic acid Traditional Name: 4-[2-(2,2-dimethyl-4-phenyl-chromen-6-yl)ethynyl]-2-fluoro-benzoic acid Formula: C26H19FO3 MolecularWeight: 398.425663

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)C#CC3=CC(=C(C=C3)C(=O)O)F)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)C#CC3=CC(=C(C=C3)C(=O)O)F)C4=CC=CC=C4)C

InChI

InChI=1S/C26H19FO3/c1-26(2)16-22(19-6-4-3-5-7-19)21-14-17(11-13-24(21)30-26)8-9-18-10-12-20(25(28)29)23(27)15-18/h3-7,10-16H,1-2H3,(H,28,29)