(3,3-dimethyl-2-oxidanyl-butyl) 4-methylbenzenesulfonate

Systemtic Name: (3,3-dimethyl-2-oxidanyl-butyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-3,3-dimethyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-3,3-dimethylbutyl) ester IUPAC Name: (2-hydroxy-3,3-dimethylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-3,3-dimethyl-butyl) 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)(C)C)O

Isomeric SMILES

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

InChI

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