dibutyl-[[3-(2,5-dimethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium

Systemtic Name: dibutyl-[[3-(2,5-dimethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: dibutyl-[[3-(2,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: dibutyl-[[3-(2,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: dibutyl-[[3-(2,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: dibutyl-[[3-(2,5-dimethylphenoxy)-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=C(C=CC(=C3)C)C)C(F)(F)F)O

Isomeric SMILES

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

InChI

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