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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[bis(2-methylpropyl)azaniumyl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(diisobutylammonio)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[[bis(2-methylpropyl)ammonio]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[bis(2-methylpropyl)azaniumyl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(diisobutylammonio)methyl]-3-keto-coumaran-6-olate Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4/c1-16(2)13-27(14-17(3)4)15-21-22(28)10-9-20-25(29)24(31-26(20)21)12-19-11-18-7-5-6-8-23(18)30-19/h5-12,16-17,28H,13-15H2,1-4H3/b24-12-