(2-ethyl-3-methyl-butyl) 4-methylbenzenesulfonate

Systemtic Name: (2-ethyl-3-methyl-butyl) 4-methylbenzenesulfonate Openeye Name: (2-ethyl-3-methyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-ethyl-3-methylbutyl) ester IUPAC Name: (2-ethyl-3-methylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ethyl-3-methyl-butyl) ester Formula: C14H22O3S MolecularWeight: 270.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3S/c1-5-13(11(2)3)10-17-18(15,16)14-8-6-12(4)7-9-14/h6-9,11,13H,5,10H2,1-4H3