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

Systemtic Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C27H33F3NO4+ MolecularWeight: 492.55043

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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+](C)C)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+](C)C)O

InChI

InChI=1S/C27H32F3NO4/c1-6-7-8-9-10-18-14-20-23(33)25(34-19-12-16(2)11-17(3)13-19)26(27(28,29)30)35-24(20)21(22(18)32)15-31(4)5/h11-14,32H,6-10,15H2,1-5H3/p+1