[3-(2-chloranylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-azanium

Systemtic Name: [3-(2-chloranylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(2-chlorophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(2-chlorophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(2-chlorophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethylazanium Traditional Name: [3-(2-chlorophenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium Formula: C21H20ClF3NO4+ MolecularWeight: 442.83601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Cl)C(F)(F)F)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Cl)C(F)(F)F)O

InChI

InChI=1S/C21H19ClF3NO4/c1-3-26(4-2)11-13-15(27)10-9-12-17(28)19(20(21(23,24)25)30-18(12)13)29-16-8-6-5-7-14(16)22/h5-10,27H,3-4,11H2,1-2H3/p+1