2-chloranyl-3-hexadecyl-benzenesulfonic acid

Systemtic Name: 2-chloranyl-3-hexadecyl-benzenesulfonic acid Openeye Name: 2-chloro-3-hexadecyl-benzenesulfonic acid CAS Name: 2-chloro-3-hexadecylbenzenesulfonic acid IUPAC Name: 2-chloro-3-hexadecylbenzenesulfonic acid Traditional Name: 3-cetyl-2-chloro-besylic acid Formula: C22H37ClO3S MolecularWeight: 417.04538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)Cl

InChI

InChI=1S/C22H37ClO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(22(20)23)27(24,25)26/h16,18-19H,2-15,17H2,1H3,(H,24,25,26)