(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[butyl(methyl)azaniumyl]methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[butyl(methyl)azaniumyl]methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[butyl(methyl)ammonio]methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[[butyl(methyl)ammonio]methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[butyl(methyl)azaniumyl]methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[butyl(methyl)ammonio]methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO4/c1-4-5-10-25(3)14-18-19(26)11-15(2)22-23(27)21(29-24(18)22)13-17-12-16-8-6-7-9-20(16)28-17/h6-9,11-13,26H,4-5,10,14H2,1-3H3/b21-13-