[(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dibutyl-azanium

Systemtic Name: [(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dibutyl-azanium Openeye Name: [(2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-dibutyl-ammonium CAS Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-dibutylammonium IUPAC Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-dibutylazanium Traditional Name: [(2Z)-2-(5-bromo-2-methoxy-benzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-dibutyl-ammonium Formula: C25H31BrNO4+ MolecularWeight: 489.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrNO4/c1-4-6-12-27(13-7-5-2)16-20-21(28)10-9-19-24(29)23(31-25(19)20)15-17-14-18(26)8-11-22(17)30-3/h8-11,14-15,28H,4-7,12-13,16H2,1-3H3/p+1/b23-15-