6-chloranyl-8-(3-methylbut-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-(3-methylbut-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-8-(3-methylbut-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-8-(3-methylbut-1-ynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-8-(3-methylbut-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-8-(3-methylbut-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C16H12ClF3O3 MolecularWeight: 344.71289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC1=CC(=CC2=C1OC(C(=C2)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

CC(C)C#CC1=CC(=CC2=C1OC(C(=C2)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C16H12ClF3O3/c1-8(2)3-4-9-5-11(17)6-10-7-12(15(21)22)14(16(18,19)20)23-13(9)10/h5-8,14H,1-2H3,(H,21,22)