[(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium

Systemtic Name: [(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Openeye Name: [(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-2-(4-carbomethoxybenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C24H28NO7+ MolecularWeight: 442.48162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO7/c1-29-12-10-25(11-13-30-2)15-19-20(26)9-8-18-22(27)21(32-23(18)19)14-16-4-6-17(7-5-16)24(28)31-3/h4-9,14,26H,10-13,15H2,1-3H3/p+1/b21-14-