(1-chloranyl-1-oxidanylidene-pentan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-chloranyl-1-oxidanylidene-pentan-2-yl) 4-methylbenzenesulfonate Openeye Name: 1-chlorocarbonylbutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-chloro-1-oxopentan-2-yl) ester IUPAC Name: (1-chloro-1-oxopentan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-chlorocarbonylbutyl ester Formula: C12H15ClO4S MolecularWeight: 290.7631

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)Cl)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C(=O)Cl)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H15ClO4S/c1-3-4-11(12(13)14)17-18(15,16)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3