butyl-[[3-(2-ethoxyphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-azanium

Systemtic Name: butyl-[[3-(2-ethoxyphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-azanium Openeye Name: butyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium CAS Name: butyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-ethylammonium IUPAC Name: butyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethylazanium Traditional Name: butyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium Formula: C25H29F3NO5+ MolecularWeight: 480.49667

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3OCC)C(F)(F)F)O

Isomeric SMILES

CCCC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3OCC)C(F)(F)F)O

InChI

InChI=1S/C25H28F3NO5/c1-4-7-14-29(5-2)15-17-18(30)13-12-16-21(31)23(24(25(26,27)28)34-22(16)17)33-20-11-9-8-10-19(20)32-6-3/h8-13,30H,4-7,14-15H2,1-3H3/p+1