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

Systemtic Name: [3-(2,4-dichlorophenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(2,4-dichlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(2,4-dichlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(2,4-dichlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethylazanium Traditional Name: [3-(2,4-dichlorophenyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium Formula: C21H19Cl2F3NO3+ MolecularWeight: 461.28167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2F3NO3/c1-3-27(4-2)10-14-16(28)8-7-13-18(29)17(12-6-5-11(22)9-15(12)23)20(21(24,25)26)30-19(13)14/h5-9,28H,3-4,10H2,1-2H3/p+1