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

Systemtic Name: (1-pentyl-4-bicyclo[2.2.2]octanyl)methyl 4-methylbenzenesulfonate Openeye Name: (1-pentyl-4-bicyclo[2.2.2]octanyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-pentyl-4-bicyclo[2.2.2]octanyl)methyl ester IUPAC Name: (1-pentyl-4-bicyclo[2.2.2]octanyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-amyl-4-bicyclo[2.2.2]octanyl)methyl ester Formula: C21H32O3S MolecularWeight: 364.54198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3S/c1-3-4-5-10-20-11-14-21(15-12-20,16-13-20)17-24-25(22,23)19-8-6-18(2)7-9-19/h6-9H,3-5,10-17H2,1-2H3