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

Systemtic Name: [(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Openeye Name: [(2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-2-(5-bromo-2-methoxy-benzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C23H27BrNO6+ MolecularWeight: 493.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrNO6/c1-28-10-8-25(9-11-29-2)14-18-19(26)6-5-17-22(27)21(31-23(17)18)13-15-12-16(24)4-7-20(15)30-3/h4-7,12-13,26H,8-11,14H2,1-3H3/p+1/b21-13-