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

Systemtic Name: (1-pentyl-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate Openeye Name: (1-pentyl-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-pentyl-4-bicyclo[2.2.2]octanyl) ester IUPAC Name: (1-pentyl-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-amyl-4-bicyclo[2.2.2]octanyl) ester Formula: C20H30O3S MolecularWeight: 350.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H30O3S/c1-3-4-5-10-19-11-14-20(15-12-19,16-13-19)23-24(21,22)18-8-6-17(2)7-9-18/h6-9H,3-5,10-16H2,1-2H3