8-[(dimethylazaniumyl)methyl]-3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dimethylammonio)methyl]-3-(2,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C21H20F3NO4 MolecularWeight: 407.38301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)[O-])C(F)(F)F

InChI

InChI=1S/C21H20F3NO4/c1-11-5-6-12(2)16(9-11)28-19-17(27)13-7-8-15(26)14(10-25(3)4)18(13)29-20(19)21(22,23)24/h5-9,26H,10H2,1-4H3