[(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium

Systemtic Name: [(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [(2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-diisobutyl-ammonium CAS Name: [(2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [(2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-3-keto-coumaran-7-yl]methyl-diisobutyl-ammonium Formula: C26H29BrNO4+ MolecularWeight: 499.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=CC3=CC4=C(O3)C=CC(=C4)Br)C2=O)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1O/C(=C\C3=CC4=C(O3)C=CC(=C4)Br)/C2=O)O)CC(C)C

InChI

InChI=1S/C26H28BrNO4/c1-15(2)12-28(13-16(3)4)14-21-22(29)7-6-20-25(30)24(32-26(20)21)11-19-10-17-9-18(27)5-8-23(17)31-19/h5-11,15-16,29H,12-14H2,1-4H3/p+1/b24-11-