[(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzoate

Systemtic Name: [(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzoate Openeye Name: [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C25H17ClO7 MolecularWeight: 464.85128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC5=C4OCOC5)Cl)O3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC5=C4OCOC5)Cl)/O3

InChI

InChI=1S/C25H17ClO7/c1-29-18-4-2-14(3-5-18)25(28)32-19-6-7-20-21(11-19)33-22(23(20)27)10-15-8-17(26)9-16-12-30-13-31-24(15)16/h2-11H,12-13H2,1H3/b22-10-