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

Systemtic Name: (2-cyano-2-methyl-hexyl) 4-methylbenzenesulfonate Openeye Name: (2-cyano-2-methyl-hexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-cyano-2-methylhexyl) ester IUPAC Name: (2-cyano-2-methylhexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-cyano-2-methyl-hexyl) ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(COS(=O)(=O)C1=CC=C(C=C1)C)C#N

Isomeric SMILES

CCCCC(C)(COS(=O)(=O)C1=CC=C(C=C1)C)C#N

InChI

InChI=1S/C15H21NO3S/c1-4-5-10-15(3,11-16)12-19-20(17,18)14-8-6-13(2)7-9-14/h6-9H,4-5,10,12H2,1-3H3