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

Systemtic Name: diethyl-[[3-(3-methylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: diethyl-[[7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: diethyl-[[7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: diethyl-[[7-hydroxy-4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C22H23F3NO4+ MolecularWeight: 422.41753

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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(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3NO4/c1-4-26(5-2)12-16-17(27)10-9-15-18(28)20(21(22(23,24)25)30-19(15)16)29-14-8-6-7-13(3)11-14/h6-11,27H,4-5,12H2,1-3H3/p+1