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

Systemtic Name: [7-oxidanyl-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl-di(propan-2-yl)azanium Openeye Name: [7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl-diisopropyl-ammonium CAS Name: [7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-di(propan-2-yl)ammonium IUPAC Name: [7-hydroxy-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl-di(propan-2-yl)azanium Traditional Name: [7-hydroxy-4-keto-3-phenyl-2-(trifluoromethyl)chromen-8-yl]methyl-diisopropyl-ammonium Formula: C23H25F3NO3+ MolecularWeight: 420.44471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3NO3/c1-13(2)27(14(3)4)12-17-18(28)11-10-16-20(29)19(15-8-6-5-7-9-15)22(23(24,25)26)30-21(16)17/h5-11,13-14,28H,12H2,1-4H3/p+1