ethyl 3,3,5,5-tetradeuterio-4-(4-methylphenyl)sulfonyloxy-cyclohexane-1-carboxylate

Systemtic Name: ethyl 3,3,5,5-tetradeuterio-4-(4-methylphenyl)sulfonyloxy-cyclohexane-1-carboxylate Openeye Name: ethyl 3,3,5,5-tetradeuterio-4-(p-tolylsulfonyloxy)cyclohexanecarboxylate CAS Name: 3,3,5,5-tetradeuterio-4-(4-methylphenyl)sulfonyloxy-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3,3,5,5-tetradeuterio-4-(4-methylphenyl)sulfonyloxycyclohexane-1-carboxylate Traditional Name: 3,3,5,5-tetradeuterio-4-tosyloxy-cyclohexanecarboxylic acid ethyl ester Formula: C16H22O5S MolecularWeight: 330.432527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22O5S/c1-3-20-16(17)13-6-8-14(9-7-13)21-22(18,19)15-10-4-12(2)5-11-15/h4-5,10-11,13-14H,3,6-9H2,1-2H3/i8D2,9D2