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

Systemtic Name: dibutyl-[[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2Z)-2-[(3,4-dichlorophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2Z)-2-(3,4-dichlorobenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl]ammonium Formula: C24H28Cl2NO3+ MolecularWeight: 449.39002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27Cl2NO3/c1-3-5-11-27(12-6-4-2)15-18-21(28)10-8-17-23(29)22(30-24(17)18)14-16-7-9-19(25)20(26)13-16/h7-10,13-14,28H,3-6,11-12,15H2,1-2H3/p+1/b22-14-