8-[(dimethylazaniumyl)methyl]-6-ethyl-3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-6-ethyl-3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-6-ethyl-3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-6-ethyl-3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-6-ethyl-3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dimethylammonio)methyl]-6-ethyl-3-(4-ethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C23H24F3NO4 MolecularWeight: 435.43617

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C(=C(C=C3C2=O)CC)[O-])C[NH+](C)C)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C(=C(C=C3C2=O)CC)[O-])C[NH+](C)C)C(F)(F)F

InChI

InChI=1S/C23H24F3NO4/c1-5-13-7-9-15(10-8-13)30-21-19(29)16-11-14(6-2)18(28)17(12-27(3)4)20(16)31-22(21)23(24,25)26/h7-11,28H,5-6,12H2,1-4H3