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

Systemtic Name: [3-(2-bromanylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-methyl-azanium Openeye Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-methyl-ammonium CAS Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-cyclohexyl-methylammonium IUPAC Name: [3-(2-bromophenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-methylazanium Traditional Name: [3-(2-bromophenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-methyl-ammonium Formula: C24H24BrF3NO4+ MolecularWeight: 527.35087

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Br)C(F)(F)F)O)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Br)C(F)(F)F)O)C4CCCCC4

InChI

InChI=1S/C24H23BrF3NO4/c1-29(14-7-3-2-4-8-14)13-16-18(30)12-11-15-20(31)22(23(24(26,27)28)33-21(15)16)32-19-10-6-5-9-17(19)25/h5-6,9-12,14,30H,2-4,7-8,13H2,1H3/p+1