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

Systemtic Name: (2-cyano-2-methyl-pentyl) 4-methylbenzenesulfonate Openeye Name: (2-cyano-2-methyl-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-cyano-2-methylpentyl) ester IUPAC Name: (2-cyano-2-methylpentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-cyano-2-methyl-pentyl) ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-4-9-14(3,10-15)11-18-19(16,17)13-7-5-12(2)6-8-13/h5-8H,4,9,11H2,1-3H3