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

Systemtic Name: butyl-[[3-(4-ethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-azanium Openeye Name: butyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: butyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: butyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methylazanium Traditional Name: butyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium Formula: C24H27F3NO4+ MolecularWeight: 450.47069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26F3NO4/c1-4-6-13-28(3)14-18-19(29)12-11-17-20(30)22(23(24(25,26)27)32-21(17)18)31-16-9-7-15(5-2)8-10-16/h7-12,29H,4-6,13-14H2,1-3H3/p+1