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

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

Systemtic Name:3-(2-chloranylphenoxy)-8-[(diethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate
Openeye Name:3-(2-chlorophenoxy)-8-[(diethylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate
CAS Name:3-(2-chlorophenoxy)-8-[(diethylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate
IUPAC Name:3-(2-chlorophenoxy)-8-[(diethylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate
Traditional Name:3-(2-chlorophenoxy)-8-[(diethylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate
Formula: C21H19ClF3NO4
MolecularWeight: 441.82807
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Cl)C(F)(F)F)[O-]


Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Cl)C(F)(F)F)[O-]


InChI

InChI=1S/C21H19ClF3NO4/c1-3-26(4-2)11-13-15(27)10-9-12-17(28)19(20(21(23,24)25)30-18(12)13)29-16-8-6-5-7-14(16)22/h5-10,27H,3-4,11H2,1-2H3


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