(3E)-3-[2-(4-butoxyphenyl)-2-oxidanylidene-ethylidene]-2-benzofuran-1-one

Systemtic Name: (3E)-3-[2-(4-butoxyphenyl)-2-oxidanylidene-ethylidene]-2-benzofuran-1-one Openeye Name: (3E)-3-[2-(4-butoxyphenyl)-2-oxo-ethylidene]isobenzofuran-1-one CAS Name: (3E)-3-[2-(4-butoxyphenyl)-2-oxoethylidene]-1-isobenzofuranone IUPAC Name: (3E)-3-[2-(4-butoxyphenyl)-2-oxoethylidene]-2-benzofuran-1-one Traditional Name: (3E)-3-[2-(4-butoxyphenyl)-2-keto-ethylidene]phthalide Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C=C2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)/C=C/2\C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C20H18O4/c1-2-3-12-23-15-10-8-14(9-11-15)18(21)13-19-16-6-4-5-7-17(16)20(22)24-19/h4-11,13H,2-3,12H2,1H3/b19-13+