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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-14(2)11-23(12-15(3)4)13-18-19(24)8-7-17-21(25)20(27-22(17)18)10-16-6-5-9-26-16/h5-10,14-15,24H,11-13H2,1-4H3/b20-10-