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

Systemtic Name: (2-methyl-4-oxidanylidene-pyran-3-yl) 4-chloranylbenzenesulfonate Openeye Name: (2-methyl-4-oxo-pyran-3-yl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (2-methyl-4-oxo-3-pyranyl) ester IUPAC Name: (2-methyl-4-oxopyran-3-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (4-keto-2-methyl-pyran-3-yl) ester Formula: C12H9ClO5S MolecularWeight: 300.71486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClO5S/c1-8-12(11(14)6-7-17-8)18-19(15,16)10-4-2-9(13)3-5-10/h2-7H,1H3