[3-(4-chloranyl-3-methyl-phenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium

Systemtic Name: [3-(4-chloranyl-3-methyl-phenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium Openeye Name: [3-(4-chloro-3-methyl-phenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium CAS Name: [3-(4-chloro-3-methylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dipropylammonium IUPAC Name: [3-(4-chloro-3-methylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropylazanium Traditional Name: [3-(4-chloro-3-methyl-phenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium Formula: C24H26ClF3NO4+ MolecularWeight: 484.91575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClF3NO4/c1-4-10-29(11-5-2)13-17-19(30)9-7-16-20(31)22(23(24(26,27)28)33-21(16)17)32-15-6-8-18(25)14(3)12-15/h6-9,12,30H,4-5,10-11,13H2,1-3H3/p+1