(2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-olate Formula: C24H24ClNO5 MolecularWeight: 441.90406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Cl)C3=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC5=C4OCOC5)Cl)/C3=O)[O-]

InChI

InChI=1S/C24H24ClNO5/c25-17-9-15(23-16(10-17)13-29-14-30-23)11-21-22(28)18-5-6-20(27)19(24(18)31-21)12-26-7-3-1-2-4-8-26/h5-6,9-11,27H,1-4,7-8,12-14H2/b21-11-