(5-cyano-5-bicyclo[2.2.2]oct-2-enyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-cyano-5-bicyclo[2.2.2]oct-2-enyl)methyl 4-methylbenzenesulfonate Openeye Name: (5-cyano-5-bicyclo[2.2.2]oct-2-enyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-cyano-5-bicyclo[2.2.2]oct-2-enyl)methyl ester IUPAC Name: (5-cyano-5-bicyclo[2.2.2]oct-2-enyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-cyano-5-bicyclo[2.2.2]oct-2-enyl)methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC3CCC2C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC3CCC2C=C3)C#N

InChI

InChI=1S/C17H19NO3S/c1-13-2-8-16(9-3-13)22(19,20)21-12-17(11-18)10-14-4-6-15(17)7-5-14/h2-4,6,8-9,14-15H,5,7,10,12H2,1H3