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

Systemtic Name: dibutyl-[[(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: dibutyl-[[(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: dibutyl-[[(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: dibutyl-[[(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: dibutyl-[[(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-3-keto-coumaran-7-yl]methyl]ammonium Formula: C26H31ClNO5+ MolecularWeight: 472.98104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClNO5/c1-3-5-9-28(10-6-4-2)14-21-22(29)8-7-20-24(30)23(33-26(20)21)13-17-11-19(27)12-18-15-31-16-32-25(17)18/h7-8,11-13,29H,3-6,9-10,14-16H2,1-2H3/p+1/b23-13-