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

Systemtic Name: [3-(4-bromanylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(4-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(4-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(4-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(4-bromophenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C19H16BrF3NO4+ MolecularWeight: 459.23385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrF3NO4/c1-24(2)9-13-14(25)8-7-12-15(26)17(18(19(21,22)23)28-16(12)13)27-11-5-3-10(20)4-6-11/h3-8,25H,9H2,1-2H3/p+1