sodium 2,5-dimethyl-4-octadecyl-benzenesulfonate

Systemtic Name: sodium 2,5-dimethyl-4-octadecyl-benzenesulfonate Openeye Name: sodium 2,5-dimethyl-4-octadecyl-benzenesulfonate CAS Name: sodium 2,5-dimethyl-4-octadecylbenzenesulfonate IUPAC Name: sodium 2,5-dimethyl-4-octadecylbenzenesulfonate Traditional Name: sodium 2,5-dimethyl-4-stearyl-besylate Formula: C26H45NaO3S MolecularWeight: 460.68847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1C)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C=C1C)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C26H46O3S.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-24(3)26(22-23(25)2)30(27,28)29;/h21-22H,4-20H2,1-3H3,(H,27,28,29);/q;+1/p-1