[(2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium

Systemtic Name: [(2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-2-(2-chloro-6-fluoro-benzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-dipropyl-ammonium Formula: C22H24ClFNO3+ MolecularWeight: 404.882263

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=C(C=CC=C3Cl)F)C2=O)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=C(C=CC=C3Cl)F)/C2=O)O

InChI

InChI=1S/C22H23ClFNO3/c1-3-10-25(11-4-2)13-16-19(26)9-8-14-21(27)20(28-22(14)16)12-15-17(23)6-5-7-18(15)24/h5-9,12,26H,3-4,10-11,13H2,1-2H3/p+1/b20-12-