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

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(2-ethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(2-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(2-ethoxyphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(2-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-2-(2-ethoxybenzylidene)-3-keto-coumaran-6-olate Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3OCC)C2=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CC=C3OCC)/C2=O)[O-]

InChI

InChI=1S/C26H33NO4/c1-4-7-15-27(16-8-5-2)18-21-22(28)14-13-20-25(29)24(31-26(20)21)17-19-11-9-10-12-23(19)30-6-3/h9-14,17,28H,4-8,15-16,18H2,1-3H3/b24-17-