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

Systemtic Name: dibutyl-[[(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2Z)-2-(4-carbomethoxybenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl]ammonium Formula: C26H32NO5+ MolecularWeight: 438.53598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO5/c1-4-6-14-27(15-7-5-2)17-21-22(28)13-12-20-24(29)23(32-25(20)21)16-18-8-10-19(11-9-18)26(30)31-3/h8-13,16,28H,4-7,14-15,17H2,1-3H3/p+1/b23-16-