4-oxidanylideneheptan-3-yl 4-methylbenzenesulfonate

Systemtic Name: 4-oxidanylideneheptan-3-yl 4-methylbenzenesulfonate Openeye Name: (1-ethyl-2-oxo-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-oxoheptan-3-yl ester IUPAC Name: 4-oxoheptan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-ethyl-2-keto-pentyl) ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-4-6-13(15)14(5-2)18-19(16,17)12-9-7-11(3)8-10-12/h7-10,14H,4-6H2,1-3H3