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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC(C#N)C2CC3CCC2C=C3

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC(C#N)C2CC3CCC2C=C3

InChI

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