(4-tert-butyl-2-chloranyl-cyclohexyl) 4-methylbenzenesulfonate

Systemtic Name: (4-tert-butyl-2-chloranyl-cyclohexyl) 4-methylbenzenesulfonate Openeye Name: (4-tert-butyl-2-chloro-cyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-tert-butyl-2-chlorocyclohexyl) ester IUPAC Name: (4-tert-butyl-2-chlorocyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-tert-butyl-2-chloro-cyclohexyl) ester Formula: C17H25ClO3S MolecularWeight: 344.8966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2Cl)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2Cl)C(C)(C)C

InChI

InChI=1S/C17H25ClO3S/c1-12-5-8-14(9-6-12)22(19,20)21-16-10-7-13(11-15(16)18)17(2,3)4/h5-6,8-9,13,15-16H,7,10-11H2,1-4H3