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

Systemtic Name: [(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [(2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-diisobutyl-ammonium CAS Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [(2Z)-2-(5-bromo-2-methoxy-benzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-diisobutyl-ammonium Formula: C25H31BrNO4+ MolecularWeight: 489.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=CC3=C(C=CC(=C3)Br)OC)C2=O)O)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrNO4/c1-15(2)12-27(13-16(3)4)14-20-21(28)8-7-19-24(29)23(31-25(19)20)11-17-10-18(26)6-9-22(17)30-5/h6-11,15-16,28H,12-14H2,1-5H3/p+1/b23-11-