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

Systemtic Name: (3-methyl-2-oxidanylidene-hexyl) 4-methylbenzenesulfonate Openeye Name: (3-methyl-2-oxo-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-2-oxohexyl) ester IUPAC Name: (3-methyl-2-oxohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-3-methyl-hexyl) ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-4-5-12(3)14(15)10-18-19(16,17)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3