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

Systemtic Name: [3-(2-chlorophenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium Openeye Name: [3-(2-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium CAS Name: [3-(2-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dipropylammonium IUPAC Name: [3-(2-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropylazanium Traditional Name: [3-(2-chlorophenyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium Formula: C23H24ClF3NO3+ MolecularWeight: 454.88977

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3Cl)C(F)(F)F)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3Cl)C(F)(F)F)O

InChI

InChI=1S/C23H23ClF3NO3/c1-3-11-28(12-4-2)13-16-18(29)10-9-15-20(30)19(14-7-5-6-8-17(14)24)22(23(25,26)27)31-21(15)16/h5-10,29H,3-4,11-13H2,1-2H3/p+1