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

Systemtic Name: butyl-[[3-(2-ethoxyphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-azanium Openeye Name: butyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: butyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: butyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methylazanium Traditional Name: butyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium Formula: C24H27F3NO5+ MolecularWeight: 466.47009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26F3NO5/c1-4-6-13-28(3)14-16-17(29)12-11-15-20(30)22(23(24(25,26)27)33-21(15)16)32-19-10-8-7-9-18(19)31-5-2/h7-12,29H,4-6,13-14H2,1-3H3/p+1