2-iodyl-3,5-dioctadecyl-benzenesulfonic acid

Systemtic Name: 2-iodyl-3,5-dioctadecyl-benzenesulfonic acid Openeye Name: 2-iodyl-3,5-dioctadecyl-benzenesulfonic acid CAS Name: 2-iodyl-3,5-dioctadecylbenzenesulfonic acid IUPAC Name: 2-iodyl-3,5-dioctadecylbenzenesulfonic acid Traditional Name: 2-iodyl-3,5-distearyl-besylic acid Formula: C42H77IO5S MolecularWeight: 821.02725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)I(=O)=O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)O)I(=O)=O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H77IO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-37-40(42(43(44)45)41(38-39)49(46,47)48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3,(H,46,47,48)