[(2Z)-2-(1-benzofuran-2-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [(2Z)-2-(1-benzofuran-2-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [(2Z)-2-(benzofuran-2-ylmethylene)-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-benzyl-methyl-ammonium CAS Name: [(2Z)-2-(2-benzofuranylmethylidene)-6-hydroxy-3-oxo-7-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [(2Z)-2-(1-benzofuran-2-ylmethylidene)-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-benzyl-methylazanium Traditional Name: [(2Z)-2-(benzofuran-2-ylmethylene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-benzyl-methyl-ammonium Formula: C26H22NO4+ MolecularWeight: 412.45718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)O

InChI

InChI=1S/C26H21NO4/c1-27(15-17-7-3-2-4-8-17)16-21-22(28)12-11-20-25(29)24(31-26(20)21)14-19-13-18-9-5-6-10-23(18)30-19/h2-14,28H,15-16H2,1H3/p+1/b24-14-