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

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dimethylammonio)methyl]-3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C22H22F3NO4 MolecularWeight: 421.40959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)[O-])C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)[O-])C(F)(F)F

InChI

InChI=1S/C22H22F3NO4/c1-12(2)13-7-5-6-8-17(13)29-20-18(28)14-9-10-16(27)15(11-26(3)4)19(14)30-21(20)22(23,24)25/h5-10,12,27H,11H2,1-4H3