(4-methyl-2-oxidanylidene-hexyl) 4-methylbenzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-hexyl) 4-methylbenzenesulfonate Openeye Name: (4-methyl-2-oxo-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-methyl-2-oxohexyl) ester IUPAC Name: (4-methyl-2-oxohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-4-methyl-hexyl) ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-4-11(2)9-13(15)10-18-19(16,17)14-7-5-12(3)6-8-14/h5-8,11H,4,9-10H2,1-3H3