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

Systemtic Name: dibutyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2Z)-6-hydroxy-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2Z)-6-hydroxy-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2Z)-6-hydroxy-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2Z)-6-hydroxy-3-keto-2-(2,3,4-trimethoxybenzylidene)coumaran-7-yl]methyl]ammonium Formula: C27H36NO6+ MolecularWeight: 470.57784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO6/c1-6-8-14-28(15-9-7-2)17-20-21(29)12-11-19-24(30)23(34-26(19)20)16-18-10-13-22(31-3)27(33-5)25(18)32-4/h10-13,16,29H,6-9,14-15,17H2,1-5H3/p+1/b23-16-