6-chloranyl-8-[2-(3-methylphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-[2-(3-methylphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-8-[2-(m-tolyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-8-[2-(3-methylphenyl)ethynyl]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-8-[2-(3-methylphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-8-[2-(m-tolyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C20H12ClF3O3 MolecularWeight: 392.75569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C#CC2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C20H12ClF3O3/c1-11-3-2-4-12(7-11)5-6-13-8-15(21)9-14-10-16(19(25)26)18(20(22,23)24)27-17(13)14/h2-4,7-10,18H,1H3,(H,25,26)