(1-methyl-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate

Systemtic Name: (1-methyl-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate Openeye Name: (1-methyl-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-4-bicyclo[2.2.2]octanyl) ester IUPAC Name: (1-methyl-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-4-bicyclo[2.2.2]octanyl) ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC23CCC(CC2)(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC23CCC(CC2)(CC3)C

InChI

InChI=1S/C16H22O3S/c1-13-3-5-14(6-4-13)20(17,18)19-16-10-7-15(2,8-11-16)9-12-16/h3-6H,7-12H2,1-2H3