(5-methyl-2-oxidanylidene-hexyl) benzenesulfonate

Systemtic Name: (5-methyl-2-oxidanylidene-hexyl) benzenesulfonate Openeye Name: (5-methyl-2-oxo-hexyl) benzenesulfonate CAS Name: benzenesulfonic acid (5-methyl-2-oxohexyl) ester IUPAC Name: (5-methyl-2-oxohexyl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-keto-5-methyl-hexyl) ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)COS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCC(=O)COS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18O4S/c1-11(2)8-9-12(14)10-17-18(15,16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3