(2-methyl-4-oxidanylidene-pyran-3-yl) benzenesulfonate

Systemtic Name: (2-methyl-4-oxidanylidene-pyran-3-yl) benzenesulfonate Openeye Name: (2-methyl-4-oxo-pyran-3-yl) benzenesulfonate CAS Name: benzenesulfonic acid (2-methyl-4-oxo-3-pyranyl) ester IUPAC Name: (2-methyl-4-oxopyran-3-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-keto-2-methyl-pyran-3-yl) ester Formula: C12H10O5S MolecularWeight: 266.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)C=CO1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H10O5S/c1-9-12(11(13)7-8-16-9)17-18(14,15)10-5-3-2-4-6-10/h2-8H,1H3