3-methylpentan-3-yl 4-methylbenzenesulfonate

Systemtic Name: 3-methylpentan-3-yl 4-methylbenzenesulfonate Openeye Name: (1-ethyl-1-methyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-methylpentan-3-yl ester IUPAC Name: 3-methylpentan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-ethyl-1-methyl-propyl) ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-5-13(4,6-2)16-17(14,15)12-9-7-11(3)8-10-12/h7-10H,5-6H2,1-4H3