dibutyl-[[7-oxidanyl-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]azanium

Systemtic Name: dibutyl-[[7-oxidanyl-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: dibutyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium CAS Name: dibutyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: dibutyl-[[7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Traditional Name: dibutyl-[[7-hydroxy-4-keto-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl]ammonium Formula: C25H29F3NO3+ MolecularWeight: 448.49787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28F3NO3/c1-3-5-14-29(15-6-4-2)16-19-20(30)13-12-18-22(31)21(17-10-8-7-9-11-17)24(25(26,27)28)32-23(18)19/h7-13,30H,3-6,14-16H2,1-2H3/p+1