[(2E)-2-(1-benzofuran-2-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dibutyl-azanium

Systemtic Name: [(2E)-2-(1-benzofuran-2-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dibutyl-azanium Openeye Name: [(2E)-2-(benzofuran-2-ylmethylene)-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-dibutyl-ammonium CAS Name: [(2E)-2-(2-benzofuranylmethylidene)-6-hydroxy-3-oxo-7-benzofuranyl]methyl-dibutylammonium IUPAC Name: [(2E)-2-(1-benzofuran-2-ylmethylidene)-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-dibutylazanium Traditional Name: [(2E)-2-(benzofuran-2-ylmethylene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-dibutyl-ammonium Formula: C26H30NO4+ MolecularWeight: 420.5207

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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/p+1/b24-16+