2-oxidanyl-4-pentadecyl-5-sulfanyl-benzenesulfonic acid

Systemtic Name: 2-oxidanyl-4-pentadecyl-5-sulfanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-4-pentadecyl-5-sulfanyl-benzenesulfonic acid CAS Name: 2-hydroxy-5-mercapto-4-pentadecylbenzenesulfonic acid IUPAC Name: 2-hydroxy-4-pentadecyl-5-sulfanylbenzenesulfonic acid Traditional Name: 2-hydroxy-5-mercapto-4-pentadecyl-besylic acid Formula: C21H36O4S2 MolecularWeight: 416.63814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C=C1S)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C=C1S)S(=O)(=O)O)O

InChI

InChI=1S/C21H36O4S2/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)