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

Systemtic Name: 3-(2-chloranylphenoxy)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-chlorophenoxy)-8-[(dimethylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-chlorophenoxy)-8-[(dimethylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-chlorophenoxy)-8-[(dimethylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-chlorophenoxy)-8-[(dimethylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C19H15ClF3NO4 MolecularWeight: 413.77491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClF3NO4/c1-24(2)9-11-13(25)8-7-10-15(26)17(18(19(21,22)23)28-16(10)11)27-14-6-4-3-5-12(14)20/h3-8,25H,9H2,1-2H3