2-butyl-4-methyl-benzenesulfonate

Systemtic Name: 2-butyl-4-methyl-benzenesulfonate Openeye Name: 2-butyl-4-methyl-benzenesulfonate CAS Name: 2-butyl-4-methylbenzenesulfonate IUPAC Name: 2-butyl-4-methylbenzenesulfonate Traditional Name: 2-butyl-4-methyl-besylate Formula: C11H15O3S- MolecularWeight: 227.3

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C)S(=O)(=O)[O-]

InChI

InChI=1S/C11H16O3S/c1-3-4-5-10-8-9(2)6-7-11(10)15(12,13)14/h6-8H,3-5H2,1-2H3,(H,12,13,14)/p-1