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

Systemtic Name: diethyl-[[7-oxidanyl-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: diethyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: diethyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: diethyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: diethyl-[[7-hydroxy-4-keto-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C21H21F3NO3+ MolecularWeight: 392.39155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3NO3/c1-3-25(4-2)12-15-16(26)11-10-14-18(27)17(13-8-6-5-7-9-13)20(21(22,23)24)28-19(14)15/h5-11,26H,3-4,12H2,1-2H3/p+1