[3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-azanium

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethylazanium Traditional Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium Formula: C23H24ClF3NO4+ MolecularWeight: 470.88917

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC(=C(C(=C3)C)Cl)C)C(F)(F)F)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC(=C(C(=C3)C)Cl)C)C(F)(F)F)O

InChI

InChI=1S/C23H23ClF3NO4/c1-5-28(6-2)11-16-17(29)8-7-15-19(30)21(22(23(25,26)27)32-20(15)16)31-14-9-12(3)18(24)13(4)10-14/h7-10,29H,5-6,11H2,1-4H3/p+1