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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3NO4/c1-22(2,3)13-6-8-14(9-7-13)30-20-18(29)15-10-11-17(28)16(12-27(4)5)19(15)31-21(20)23(24,25)26/h6-11,28H,12H2,1-5H3