2,2-dimethylbutyl 4-methylbenzenesulfonate

Systemtic Name: 2,2-dimethylbutyl 4-methylbenzenesulfonate Openeye Name: 2,2-dimethylbutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,2-dimethylbutyl ester IUPAC Name: 2,2-dimethylbutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2,2-dimethylbutyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-5-13(3,4)10-16-17(14,15)12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3