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

Systemtic Name: [3-(2-ethoxyphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium CAS Name: [3-(2-ethoxyphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethylazanium Traditional Name: benzyl-[[3-(2-ethoxyphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium Formula: C28H27F3NO5+ MolecularWeight: 514.51289

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4OCC)C(F)(F)F)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4OCC)C(F)(F)F)O

InChI

InChI=1S/C28H26F3NO5/c1-3-32(16-18-10-6-5-7-11-18)17-20-21(33)15-14-19-24(34)26(27(28(29,30)31)37-25(19)20)36-23-13-9-8-12-22(23)35-4-2/h5-15,33H,3-4,16-17H2,1-2H3/p+1