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

Systemtic Name: [3-(4-ethoxycarbonylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: [3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: [3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[[3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C26H25F3NO6+ MolecularWeight: 504.47501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=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

CCOC(=O)C1=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/C26H24F3NO6/c1-4-13-30(14-5-2)15-19-20(31)12-11-18-21(32)23(24(26(27,28)29)36-22(18)19)35-17-9-7-16(8-10-17)25(33)34-6-3/h4-5,7-12,31H,1-2,6,13-15H2,3H3/p+1