(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[(dibutylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-7-[(dibutylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(dibutylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[(dibutylammonio)methyl]-3-keto-coumaran-6-olate Formula: C26H28BrNO4 MolecularWeight: 498.40882

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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/b24-15-