[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium

Systemtic Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-2-[(3,4-dichlorophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-2-(3,4-dichlorobenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-dipropyl-ammonium Formula: C22H24Cl2NO3+ MolecularWeight: 421.33686

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC(=C(C=C3)Cl)Cl)C2=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2NO3/c1-3-9-25(10-4-2)13-16-19(26)8-6-15-21(27)20(28-22(15)16)12-14-5-7-17(23)18(24)11-14/h5-8,11-12,26H,3-4,9-10,13H2,1-2H3/p+1/b20-12-