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

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-2-(2-furylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-2-(2-furanylmethylidene)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-2-(2-furfurylidene)-3-keto-coumaran-6-olate Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=CC=CO3)C2=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CO3)/C2=O)[O-]

InChI

InChI=1S/C22H27NO4/c1-3-5-11-23(12-6-4-2)15-18-19(24)10-9-17-21(25)20(27-22(17)18)14-16-8-7-13-26-16/h7-10,13-14,24H,3-6,11-12,15H2,1-2H3/b20-14-