2-hexadecyl-3-oxidanyl-benzenesulfonic acid

Systemtic Name: 2-hexadecyl-3-oxidanyl-benzenesulfonic acid Openeye Name: 2-hexadecyl-3-hydroxy-benzenesulfonic acid CAS Name: 2-hexadecyl-3-hydroxybenzenesulfonic acid IUPAC Name: 2-hexadecyl-3-hydroxybenzenesulfonic acid Traditional Name: 2-cetyl-3-hydroxy-besylic acid Formula: C22H38O4S MolecularWeight: 398.59972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)O)O

InChI

InChI=1S/C22H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-21(23)18-16-19-22(20)27(24,25)26/h16,18-19,23H,2-15,17H2,1H3,(H,24,25,26)