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

Systemtic Name: [3-(3-chlorophenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(3-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(3-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(3-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethylazanium Traditional Name: [3-(3-chlorophenyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium Formula: C21H20ClF3NO3+ MolecularWeight: 426.83661

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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)Cl)C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClF3NO3/c1-3-26(4-2)11-15-16(27)9-8-14-18(28)17(12-6-5-7-13(22)10-12)20(21(23,24)25)29-19(14)15/h5-10,27H,3-4,11H2,1-2H3/p+1