(1-chloranyl-1-oxidanylidene-hexan-2-yl) 2-methylbenzenesulfonate

Systemtic Name: (1-chloranyl-1-oxidanylidene-hexan-2-yl) 2-methylbenzenesulfonate Openeye Name: 1-chlorocarbonylpentyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (1-chloro-1-oxohexan-2-yl) ester IUPAC Name: (1-chloro-1-oxohexan-2-yl) 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid 1-chlorocarbonylpentyl ester Formula: C13H17ClO4S MolecularWeight: 304.78968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)Cl)OS(=O)(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCC(C(=O)Cl)OS(=O)(=O)C1=CC=CC=C1C

InChI

InChI=1S/C13H17ClO4S/c1-3-4-8-11(13(14)15)18-19(16,17)12-9-6-5-7-10(12)2/h5-7,9,11H,3-4,8H2,1-2H3