6-(2-phenylethynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-(2-phenylethynyl)-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C19H13F3O3 MolecularWeight: 346.29993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13F3O3/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/h1-5,8-10,15,17H,11H2,(H,23,24)