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

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dimethylammonio)methyl]-4-keto-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C23H22F3NO6 MolecularWeight: 465.41909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=O)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/C23H22F3NO6/c1-4-11-31-22(30)13-5-7-14(8-6-13)32-20-18(29)15-9-10-17(28)16(12-27(2)3)19(15)33-21(20)23(24,25)26/h5-10,28H,4,11-12H2,1-3H3