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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[bis(2-methoxyethyl)ammonio]methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[[bis(2-methoxyethyl)ammonio]methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C25H27NO6 MolecularWeight: 437.48498

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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+](CCOC)CCOC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO6/c1-16-12-20(27)19(15-26(8-10-29-2)9-11-30-3)25-23(16)24(28)22(32-25)14-18-13-17-6-4-5-7-21(17)31-18/h4-7,12-14,27H,8-11,15H2,1-3H3/b22-14-