(2,5-dimethyl-4-oxidanylidene-furan-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,5-dimethyl-4-oxidanylidene-furan-3-yl) 4-methylbenzenesulfonate Openeye Name: (2,5-dimethyl-4-oxo-3-furyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,5-dimethyl-4-oxo-3-furanyl) ester IUPAC Name: (2,5-dimethyl-4-oxofuran-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-2,5-dimethyl-3-furyl) ester Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C(O1)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1C(=O)C(=C(O1)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H14O5S/c1-8-4-6-11(7-5-8)19(15,16)18-13-10(3)17-9(2)12(13)14/h4-7,9H,1-3H3