butyl-[[3-(3,5-dimethylphenoxy)-6-hexyl-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-azanium

Systemtic Name: butyl-[[3-(3,5-dimethylphenoxy)-6-hexyl-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-azanium Openeye Name: butyl-[[3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium CAS Name: butyl-[[3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-ethylammonium IUPAC Name: butyl-[[3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethylazanium Traditional Name: butyl-[[3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium Formula: C31H41F3NO4+ MolecularWeight: 548.65675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)C[NH+](CC)CCCC)O

Isomeric SMILES

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)C[NH+](CC)CCCC)O

InChI

InChI=1S/C31H40F3NO4/c1-6-9-11-12-13-22-18-24-27(37)29(38-23-16-20(4)15-21(5)17-23)30(31(32,33)34)39-28(24)25(26(22)36)19-35(8-3)14-10-7-2/h15-18,36H,6-14,19H2,1-5H3/p+1