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

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-3-keto-2-m-anisylidene-coumaran-6-olate Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-4-6-13-26(14-7-5-2)17-21-22(27)12-11-20-24(28)23(30-25(20)21)16-18-9-8-10-19(15-18)29-3/h8-12,15-16,27H,4-7,13-14,17H2,1-3H3/b23-16-