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

Systemtic Name: [(2Z)-2-[(3-bromophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [(2Z)-2-[(3-bromophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-diisobutyl-ammonium CAS Name: [(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [(2Z)-2-(3-bromobenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-diisobutyl-ammonium Formula: C24H29BrNO3+ MolecularWeight: 459.39596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrNO3/c1-15(2)12-26(13-16(3)4)14-20-21(27)9-8-19-23(28)22(29-24(19)20)11-17-6-5-7-18(25)10-17/h5-11,15-16,27H,12-14H2,1-4H3/p+1/b22-11-