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

Systemtic Name: [1-(hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl ester IUPAC Name: [1-(hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methylol-4-bicyclo[2.2.2]octanyl)methyl ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)(CC3)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)(CC3)CO

InChI

InChI=1S/C17H24O4S/c1-14-2-4-15(5-3-14)22(19,20)21-13-17-9-6-16(12-18,7-10-17)8-11-17/h2-5,18H,6-13H2,1H3