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

Systemtic Name: [3-(3,5-dimethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethylazanium Traditional Name: [3-(3,5-dimethylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium Formula: C23H25F3NO4+ MolecularWeight: 436.44411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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