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

Systemtic Name: [3-(2-bromanylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-(2-bromophenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium Formula: C25H20BrF3NO4+ MolecularWeight: 535.32981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

InChI

InChI=1S/C25H19BrF3NO4/c1-30(13-15-7-3-2-4-8-15)14-17-19(31)12-11-16-21(32)23(24(25(27,28)29)34-22(16)17)33-20-10-6-5-9-18(20)26/h2-12,31H,13-14H2,1H3/p+1