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

Systemtic Name: [(2E)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dibutyl-azanium Openeye Name: [(2E)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-dibutyl-ammonium CAS Name: [(2E)-2-[(5-bromo-2-benzofuranyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-dibutylammonium IUPAC Name: [(2E)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-dibutylazanium Traditional Name: [(2E)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-3-keto-coumaran-7-yl]methyl-dibutyl-ammonium Formula: C26H29BrNO4+ MolecularWeight: 499.41676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=CC4=C(O3)C=CC(=C4)Br)C2=O)O

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C/C3=CC4=C(O3)C=CC(=C4)Br)/C2=O)O

InChI

InChI=1S/C26H28BrNO4/c1-3-5-11-28(12-6-4-2)16-21-22(29)9-8-20-25(30)24(32-26(20)21)15-19-14-17-13-18(27)7-10-23(17)31-19/h7-10,13-15,29H,3-6,11-12,16H2,1-2H3/p+1/b24-15+