(2-deuterio-3-methyl-butan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-deuterio-3-methyl-butan-2-yl) 4-methylbenzenesulfonate Openeye Name: (1-deuterio-1,2-dimethyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-deuterio-3-methylbutan-2-yl) ester IUPAC Name: (2-deuterio-3-methylbutan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-deuterio-1,2-dimethyl-propyl) ester Formula: C12H18O3S MolecularWeight: 243.340682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C(C)(C(C)C)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H18O3S/c1-9(2)11(4)15-16(13,14)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3/i11D