[(1R,4S,5R)-3-oxidanylidene-5-bicyclo[2.2.2]octanyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,4S,5R)-3-oxidanylidene-5-bicyclo[2.2.2]octanyl] 4-methylbenzenesulfonate Openeye Name: [(1R,4S,5R)-3-oxo-5-bicyclo[2.2.2]octanyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,4S,5R)-3-oxo-5-bicyclo[2.2.2]octanyl] ester IUPAC Name: [(1R,4S,5R)-3-oxo-5-bicyclo[2.2.2]octanyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,4S,5R)-3-keto-5-bicyclo[2.2.2]octanyl] ester Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CCC2C(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@H]3CC[C@@H]2C(=O)C3

InChI

InChI=1S/C15H18O4S/c1-10-2-5-12(6-3-10)20(17,18)19-15-9-11-4-7-13(15)14(16)8-11/h2-3,5-6,11,13,15H,4,7-9H2,1H3/t11-,13+,15+/m0/s1