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

Systemtic Name: [(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [(2Z)-2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2Z)-3-keto-2-[(5-methyl-2-furyl)methylene]coumaran-6-yl] ester Formula: C21H16O6S MolecularWeight: 396.41314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(O4)C)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(O4)C)/O3

InChI

InChI=1S/C21H16O6S/c1-13-3-8-17(9-4-13)28(23,24)27-16-7-10-18-19(12-16)26-20(21(18)22)11-15-6-5-14(2)25-15/h3-12H,1-2H3/b20-11-