[(1R)-1-cyano-3-methyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R)-1-cyano-3-methyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-cyano-3-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1-cyano-3-methylbutyl] ester IUPAC Name: [(1R)-1-cyano-3-methylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-cyano-3-methyl-butyl] ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](CC(C)C)C#N

InChI

InChI=1S/C13H17NO3S/c1-10(2)8-12(9-14)17-18(15,16)13-6-4-11(3)5-7-13/h4-7,10,12H,8H2,1-3H3/t12-/m1/s1