[(2Z)-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl] 4-methoxybenzenesulfonate

Systemtic Name: [(2Z)-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2Z)-2-[(4-isopropylphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2Z)-2-(4-isopropylbenzylidene)-3-keto-coumaran-6-yl] ester Formula: C25H22O6S MolecularWeight: 450.50358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22O6S/c1-16(2)18-6-4-17(5-7-18)14-24-25(26)22-13-10-20(15-23(22)30-24)31-32(27,28)21-11-8-19(29-3)9-12-21/h4-16H,1-3H3/b24-14-