(4,4-dimethyl-2-oxidanylidene-pentyl) benzenesulfonate

Systemtic Name: (4,4-dimethyl-2-oxidanylidene-pentyl) benzenesulfonate Openeye Name: (4,4-dimethyl-2-oxo-pentyl) benzenesulfonate CAS Name: benzenesulfonic acid (4,4-dimethyl-2-oxopentyl) ester IUPAC Name: (4,4-dimethyl-2-oxopentyl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-keto-4,4-dimethyl-pentyl) ester Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-13(2,3)9-11(14)10-17-18(15,16)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3