[(2R)-4-oxidanyl-2-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2R)-4-oxidanyl-2-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate Openeye Name: [(2R)-4-hydroxy-2-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-4-hydroxy-2-bicyclo[2.2.2]octanyl]methyl ester IUPAC Name: [(2R)-4-hydroxy-2-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-4-hydroxy-2-bicyclo[2.2.2]octanyl]methyl ester Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3(CCC2CC3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CC3(CCC2CC3)O

InChI

InChI=1S/C16H22O4S/c1-12-2-4-15(5-3-12)21(18,19)20-11-14-10-16(17)8-6-13(14)7-9-16/h2-5,13-14,17H,6-11H2,1H3/t13?,14-,16?/m0/s1