[(E)-4,4-dimethyl-3-oxidanylidene-oct-1-enyl] 2-methylbenzenesulfonate

Systemtic Name: [(E)-4,4-dimethyl-3-oxidanylidene-oct-1-enyl] 2-methylbenzenesulfonate Openeye Name: [(E)-4,4-dimethyl-3-oxo-oct-1-enyl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [(E)-4,4-dimethyl-3-oxooct-1-enyl] ester IUPAC Name: [(E)-4,4-dimethyl-3-oxooct-1-enyl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [(E)-3-keto-4,4-dimethyl-oct-1-enyl] ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)C=COS(=O)(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCC(C)(C)C(=O)/C=C/OS(=O)(=O)C1=CC=CC=C1C

InChI

InChI=1S/C17H24O4S/c1-5-6-12-17(3,4)16(18)11-13-21-22(19,20)15-10-8-7-9-14(15)2/h7-11,13H,5-6,12H2,1-4H3/b13-11+