(2Z)-6-(3-iodanylpropoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-6-(3-iodanylpropoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-6-(3-iodopropoxy)-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-(3-iodopropoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-(3-iodopropoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-(3-iodopropoxy)-2-(3,4,5-trimethoxybenzylidene)coumaran-3-one Formula: C21H21IO6 MolecularWeight: 496.29231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OCCCI

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCCCI

InChI

InChI=1S/C21H21IO6/c1-24-18-10-13(11-19(25-2)21(18)26-3)9-17-20(23)15-6-5-14(12-16(15)28-17)27-8-4-7-22/h5-6,9-12H,4,7-8H2,1-3H3/b17-9-