(2-methyl-2-oxidanyl-cyclohexyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-2-oxidanyl-cyclohexyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-2-methyl-cyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-2-methylcyclohexyl) ester IUPAC Name: (2-hydroxy-2-methylcyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-2-methyl-cyclohexyl) ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2(C)O

InChI

InChI=1S/C14H20O4S/c1-11-6-8-12(9-7-11)19(16,17)18-13-5-3-4-10-14(13,2)15/h6-9,13,15H,3-5,10H2,1-2H3