dibutyl-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: dibutyl-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2Z)-6-hydroxy-3-keto-2-veratrylidene-coumaran-7-yl]methyl]ammonium Formula: C26H34NO5+ MolecularWeight: 440.55186

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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/p+1/b24-16-