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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(dibutylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[(dibutylammonio)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(dibutylazaniumyl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(dibutylammonio)methyl]-3-keto-coumaran-6-olate Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=CC4=CC=CC=C4O3)C2=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C\C3=CC4=CC=CC=C4O3)/C2=O)[O-]

InChI

InChI=1S/C26H29NO4/c1-3-5-13-27(14-6-4-2)17-21-22(28)12-11-20-25(29)24(31-26(20)21)16-19-15-18-9-7-8-10-23(18)30-19/h7-12,15-16,28H,3-6,13-14,17H2,1-2H3/b24-16-