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

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-3-keto-2-veratrylidene-coumaran-6-olate Formula: C26H33NO5 MolecularWeight: 439.54392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO5/c1-5-7-13-27(14-8-6-2)17-20-21(28)11-10-19-25(29)24(32-26(19)20)16-18-9-12-22(30-3)23(15-18)31-4/h9-12,15-16,28H,5-8,13-14,17H2,1-4H3/b24-16-