(1-deuterio-2,2-dimethyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (1-deuterio-2,2-dimethyl-propyl) 4-methylbenzenesulfonate Openeye Name: (1-deuterio-2,2-dimethyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-deuterio-2,2-dimethylpropyl) ester IUPAC Name: (1-deuterio-2,2-dimethylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-deuterio-2,2-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)OCC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C12H18O3S/c1-10-5-7-11(8-6-10)16(13,14)15-9-12(2,3)4/h5-8H,9H2,1-4H3/i9D