(2E)-2-(1-benzofuran-2-ylmethylidene)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2E)-2-(1-benzofuran-2-ylmethylidene)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2E)-2-(benzofuran-2-ylmethylene)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2E)-2-(2-benzofuranylmethylidene)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2E)-2-(1-benzofuran-2-ylmethylidene)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2E)-2-(benzofuran-2-ylmethylene)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-keto-coumaran-6-olate Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6/c1-28-11-9-25(10-12-29-2)15-19-20(26)8-7-18-23(27)22(31-24(18)19)14-17-13-16-5-3-4-6-21(16)30-17/h3-8,13-14,26H,9-12,15H2,1-2H3/b22-14+