4-bicyclo[2.2.2]octanyl 4-methyl-2-(7-oxidanylheptan-3-yl)benzenesulfonate

Systemtic Name: 4-bicyclo[2.2.2]octanyl 4-methyl-2-(7-oxidanylheptan-3-yl)benzenesulfonate Openeye Name: 4-bicyclo[2.2.2]octanyl 2-(1-ethyl-5-hydroxy-pentyl)-4-methyl-benzenesulfonate CAS Name: 2-(7-hydroxyheptan-3-yl)-4-methylbenzenesulfonic acid 4-bicyclo[2.2.2]octanyl ester IUPAC Name: 4-bicyclo[2.2.2]octanyl 2-(7-hydroxyheptan-3-yl)-4-methylbenzenesulfonate Traditional Name: 2-(1-ethyl-5-hydroxy-pentyl)-4-methyl-benzenesulfonic acid 4-bicyclo[2.2.2]octanyl ester Formula: C22H34O4S MolecularWeight: 394.56796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCO)C1=C(C=CC(=C1)C)S(=O)(=O)OC23CCC(CC2)CC3

Isomeric SMILES

CCC(CCCCO)C1=C(C=CC(=C1)C)S(=O)(=O)OC23CCC(CC2)CC3

InChI

InChI=1S/C22H34O4S/c1-3-19(6-4-5-15-23)20-16-17(2)7-8-21(20)27(24,25)26-22-12-9-18(10-13-22)11-14-22/h7-8,16,18-19,23H,3-6,9-15H2,1-2H3