[(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [(2Z)-2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(2Z)-2-[(5-methyl-2-furanyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(2Z)-3-keto-2-[(5-methyl-2-furyl)methylene]coumaran-6-yl] ester Formula: C20H13ClO6S MolecularWeight: 416.83162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H13ClO6S/c1-12-2-5-14(25-12)10-19-20(22)17-9-6-15(11-18(17)26-19)27-28(23,24)16-7-3-13(21)4-8-16/h2-11H,1H3/b19-10-