sodium 2-oxidanyl-4-pentadecyl-5-sulfanyl-benzenesulfonate

Systemtic Name: sodium 2-oxidanyl-4-pentadecyl-5-sulfanyl-benzenesulfonate Openeye Name: sodium 2-hydroxy-4-pentadecyl-5-sulfanyl-benzenesulfonate CAS Name: sodium 2-hydroxy-5-mercapto-4-pentadecylbenzenesulfonate IUPAC Name: sodium 2-hydroxy-4-pentadecyl-5-sulfanylbenzenesulfonate Traditional Name: sodium 2-hydroxy-5-mercapto-4-pentadecyl-besylate Formula: C21H35NaO4S2 MolecularWeight: 438.61997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C=C1S)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C=C1S)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C21H36O4S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(22)21(17-20(18)26)27(23,24)25;/h16-17,22,26H,2-15H2,1H3,(H,23,24,25);/q;+1/p-1