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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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