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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28F3NO3/c1-15(2)12-29(13-16(3)4)14-19-20(30)11-10-18-22(31)21(17-8-6-5-7-9-17)24(25(26,27)28)32-23(18)19/h5-11,15-16,30H,12-14H2,1-4H3/p+1