[6-chloranyl-8-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate

Systemtic Name: [6-chloranyl-8-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate Openeye Name: [6-chloro-8-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate CAS Name: carbonic acid [6-chloro-8-(2-phenylethynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-8-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate Traditional Name: carbonic acid [6-chloro-8-(2-phenylethynyl)-2-(trifluoromethyl)-2H-chromen-3-yl] ester Formula: C19H10ClF3O4 MolecularWeight: 394.72851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H10ClF3O4/c20-14-8-12(7-6-11-4-2-1-3-5-11)16-13(9-14)10-15(26-18(24)25)17(27-16)19(21,22)23/h1-5,8-10,17H,(H,24,25)