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

Systemtic Name: [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Openeye Name: [(2Z)-2-(o-tolylmethylene)-3-oxo-benzofuran-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(2Z)-3-keto-2-(2-methylbenzylidene)coumaran-6-yl] ester Formula: C23H18O6S MolecularWeight: 422.45042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=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/C23H18O6S/c1-15-5-3-4-6-16(15)13-22-23(24)20-12-9-18(14-21(20)28-22)29-30(25,26)19-10-7-17(27-2)8-11-19/h3-14H,1-2H3/b22-13-