[3-(4-ethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(prop-2-enyl)azanium

Systemtic Name: [3-(4-ethylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: [3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: [3-(4-ethylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[[3-(4-ethylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C25H25F3NO4+ MolecularWeight: 460.46551

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC=C)CC=C)O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](CC=C)CC=C)O)C(F)(F)F

InChI

InChI=1S/C25H24F3NO4/c1-4-13-29(14-5-2)15-19-20(30)12-11-18-21(31)23(24(25(26,27)28)33-22(18)19)32-17-9-7-16(6-3)8-10-17/h4-5,7-12,30H,1-2,6,13-15H2,3H3/p+1