(2Z)-7-[(dibutylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-carbomethoxybenzylidene)-7-[(dibutylammonio)methyl]-3-keto-coumaran-6-olate Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO5/c1-4-6-14-27(15-7-5-2)17-21-22(28)13-12-20-24(29)23(32-25(20)21)16-18-8-10-19(11-9-18)26(30)31-3/h8-13,16,28H,4-7,14-15,17H2,1-3H3/b23-16-