6-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C19H11F3O3 MolecularWeight: 344.28405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OC(C(=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OC(C(=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H11F3O3/c20-19(21,22)17-15(18(23)24)11-14-10-13(8-9-16(14)25-17)7-6-12-4-2-1-3-5-12/h1-5,8-11,17H,(H,23,24)