3-(2-chlorophenyl)-8-[(diethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(2-chlorophenyl)-8-[(diethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-chlorophenyl)-8-[(diethylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-chlorophenyl)-8-[(diethylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-chlorophenyl)-8-[(diethylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-chlorophenyl)-8-[(diethylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C21H19ClF3NO3 MolecularWeight: 425.82867

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3Cl)C(F)(F)F)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3Cl)C(F)(F)F)[O-]

InChI

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