[3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium CAS Name: [3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dipropylammonium IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropylazanium Traditional Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium Formula: C25H28ClF3NO4+ MolecularWeight: 498.94233

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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)C)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)C)Cl)C)C(F)(F)F)O

InChI

InChI=1S/C25H27ClF3NO4/c1-5-9-30(10-6-2)13-18-19(31)8-7-17-21(32)23(24(25(27,28)29)34-22(17)18)33-16-11-14(3)20(26)15(4)12-16/h7-8,11-12,31H,5-6,9-10,13H2,1-4H3/p+1