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

Systemtic Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diethylazanium Traditional Name: [3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-diethyl-ammonium Formula: C29H37F3NO4+ MolecularWeight: 520.60359

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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)CC)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)CC)O

InChI

InChI=1S/C29H36F3NO4/c1-6-9-10-11-12-20-16-22-25(35)27(36-21-14-18(4)13-19(5)15-21)28(29(30,31)32)37-26(22)23(24(20)34)17-33(7-2)8-3/h13-16,34H,6-12,17H2,1-5H3/p+1