[(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium

Systemtic Name: [(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-3-keto-coumaran-7-yl]methyl-dipropyl-ammonium Formula: C24H27BrNO5+ MolecularWeight: 489.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC(=CC4=C3OCOC4)Br)C2=O)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC(=CC4=C3OCOC4)Br)/C2=O)O

InChI

InChI=1S/C24H26BrNO5/c1-3-7-26(8-4-2)12-19-20(27)6-5-18-22(28)21(31-24(18)19)11-15-9-17(25)10-16-13-29-14-30-23(15)16/h5-6,9-11,27H,3-4,7-8,12-14H2,1-2H3/p+1/b21-11-