3,4-bis(2-methylpropyl)-2-octadecyl-benzenesulfonic acid

Systemtic Name: 3,4-bis(2-methylpropyl)-2-octadecyl-benzenesulfonic acid Openeye Name: 3,4-diisobutyl-2-octadecyl-benzenesulfonic acid CAS Name: 3,4-bis(2-methylpropyl)-2-octadecylbenzenesulfonic acid IUPAC Name: 3,4-bis(2-methylpropyl)-2-octadecylbenzenesulfonic acid Traditional Name: 3,4-diisobutyl-2-stearyl-besylic acid Formula: C32H58O3S MolecularWeight: 522.86612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1CC(C)C)CC(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1CC(C)C)CC(C)C)S(=O)(=O)O

InChI

InChI=1S/C32H58O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-31(26-28(4)5)29(25-27(2)3)23-24-32(30)36(33,34)35/h23-24,27-28H,6-22,25-26H2,1-5H3,(H,33,34,35)