2-methylbutan-2-yl 3-methylbenzenesulfonate

Systemtic Name: 2-methylbutan-2-yl 3-methylbenzenesulfonate Openeye Name: 1,1-dimethylpropyl 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid tert-amyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OS(=O)(=O)C1=CC=CC(=C1)C

Isomeric SMILES

CCC(C)(C)OS(=O)(=O)C1=CC=CC(=C1)C

InChI

InChI=1S/C12H18O3S/c1-5-12(3,4)15-16(13,14)11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3