(3-methoxy-2,2-dimethyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (3-methoxy-2,2-dimethyl-propyl) 4-methylbenzenesulfonate Openeye Name: (3-methoxy-2,2-dimethyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methoxy-2,2-dimethylpropyl) ester IUPAC Name: (3-methoxy-2,2-dimethylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-methoxy-2,2-dimethyl-propyl) ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)COC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)COC

InChI

InChI=1S/C13H20O4S/c1-11-5-7-12(8-6-11)18(14,15)17-10-13(2,3)9-16-4/h5-8H,9-10H2,1-4H3