(2,2,6,6-tetradeuterio-4-methoxy-cyclohexyl) 4-methylbenzenesulfonate

Systemtic Name: (2,2,6,6-tetradeuterio-4-methoxy-cyclohexyl) 4-methylbenzenesulfonate Openeye Name: (2,2,6,6-tetradeuterio-4-methoxy-cyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2,6,6-tetradeuterio-4-methoxycyclohexyl) ester IUPAC Name: (2,2,6,6-tetradeuterio-4-methoxycyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2,6,6-tetradeuterio-4-methoxy-cyclohexyl) ester Formula: C14H20O4S MolecularWeight: 288.395847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)OC

Isomeric SMILES

[2H]C1(CC(CC(C1OS(=O)(=O)C2=CC=C(C=C2)C)([2H])[2H])OC)[2H]

InChI

InChI=1S/C14H20O4S/c1-11-3-9-14(10-4-11)19(15,16)18-13-7-5-12(17-2)6-8-13/h3-4,9-10,12-13H,5-8H2,1-2H3/i7D2,8D2