hydrogen sulfate; [3-(4-methoxyphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: hydrogen sulfate; [3-(4-methoxyphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: hydrogen sulfate; [7-hydroxy-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: hydrogen sulfate; [7-hydroxy-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: hydrogen sulfate; [7-hydroxy-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-4-keto-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium bisulfate Formula: C20H20F3NO9S MolecularWeight: 507.43431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3NO5.H2O4S/c1-24(2)10-14-15(25)9-8-13-16(26)18(19(20(21,22)23)29-17(13)14)28-12-6-4-11(27-3)5-7-12;1-5(2,3)4/h4-9,25H,10H2,1-3H3;(H2,1,2,3,4)