dimethyl-[[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: [7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [7-hydroxy-4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C25H21F3NO4+ MolecularWeight: 456.43375

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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)C4=CC=CC=C4)C(F)(F)F)O

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C25H20F3NO4/c1-29(2)14-19-20(30)13-12-18-21(31)23(24(25(26,27)28)33-22(18)19)32-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,30H,14H2,1-2H3/p+1