1-[4-(2-methylpropyl)phenyl]ethanesulfonic acid

Systemtic Name: 1-[4-(2-methylpropyl)phenyl]ethanesulfonic acid Openeye Name: 1-(4-isobutylphenyl)ethanesulfonic acid CAS Name: 1-[4-(2-methylpropyl)phenyl]ethanesulfonic acid IUPAC Name: 1-[4-(2-methylpropyl)phenyl]ethanesulfonic acid Traditional Name: 1-(4-isobutylphenyl)ethanesulfonic acid Formula: C12H18O3S MolecularWeight: 242.33452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O3S/c1-9(2)8-11-4-6-12(7-5-11)10(3)16(13,14)15/h4-7,9-10H,8H2,1-3H3,(H,13,14,15)