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

Systemtic Name: dibutyl-[[3-(4-ethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: dibutyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: dibutyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: dibutyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: dibutyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C27H33F3NO4+ MolecularWeight: 492.55043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32F3NO4/c1-4-7-15-31(16-8-5-2)17-21-22(32)14-13-20-23(33)25(26(27(28,29)30)35-24(20)21)34-19-11-9-18(6-3)10-12-19/h9-14,32H,4-8,15-17H2,1-3H3/p+1