(3-cyano-3-methyl-butyl) 4-methylbenzenesulfonate

Systemtic Name: (3-cyano-3-methyl-butyl) 4-methylbenzenesulfonate Openeye Name: (3-cyano-3-methyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-cyano-3-methylbutyl) ester IUPAC Name: (3-cyano-3-methylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-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)OCCC(C)(C)C#N

Isomeric SMILES

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

InChI

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