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

Systemtic Name: 8-[(diethylazaniumyl)methyl]-3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(diethylammonio)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(diethylammonio)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(diethylazaniumyl)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(diethylammonio)methyl]-4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C22H22F3NO4 MolecularWeight: 421.40959

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC(=C3)C)C(F)(F)F)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC(=C3)C)C(F)(F)F)[O-]

InChI

InChI=1S/C22H22F3NO4/c1-4-26(5-2)12-16-17(27)10-9-15-18(28)20(21(22(23,24)25)30-19(15)16)29-14-8-6-7-13(3)11-14/h6-11,27H,4-5,12H2,1-3H3