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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[bis(2-methylpropyl)azaniumyl]methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(diisobutylammonio)methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[[bis(2-methylpropyl)ammonio]methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[bis(2-methylpropyl)azaniumyl]methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(diisobutylammonio)methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C[NH+](CC(C)C)CC(C)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=CC=CC=C4O3)/O2)C[NH+](CC(C)C)CC(C)C)[O-]

InChI

InChI=1S/C27H31NO4/c1-16(2)13-28(14-17(3)4)15-21-22(29)10-18(5)25-26(30)24(32-27(21)25)12-20-11-19-8-6-7-9-23(19)31-20/h6-12,16-17,29H,13-15H2,1-5H3/b24-12-