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

Systemtic Name: diethyl-[[3-(4-ethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: diethyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: diethyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: diethyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C23H25F3NO4+ MolecularWeight: 436.44411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC)CC)O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC)CC)O)C(F)(F)F

InChI

InChI=1S/C23H24F3NO4/c1-4-14-7-9-15(10-8-14)30-21-19(29)16-11-12-18(28)17(13-27(5-2)6-3)20(16)31-22(21)23(24,25)26/h7-12,28H,4-6,13H2,1-3H3/p+1