6-chloranyl-8-(2-phenylethynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-(2-phenylethynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-8-(2-phenylethynyl)-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-8-(2-phenylethynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-8-(2-phenylethynyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-8-(2-phenylethynyl)-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C19H12ClF3O3 MolecularWeight: 380.74499

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=C1C=C(C=C2C#CC3=CC=CC=C3)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(OC2=C1C=C(C=C2C#CC3=CC=CC=C3)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H12ClF3O3/c20-14-8-12(7-6-11-4-2-1-3-5-11)16-13(9-14)10-15(18(24)25)17(26-16)19(21,22)23/h1-5,8-9,15,17H,10H2,(H,24,25)