3-(dihexadecylsulfamoyl)-5-sulfanyl-benzoic acid

Systemtic Name: 3-(dihexadecylsulfamoyl)-5-sulfanyl-benzoic acid Openeye Name: 3-(dihexadecylsulfamoyl)-5-sulfanyl-benzoic acid CAS Name: 3-(dihexadecylsulfamoyl)-5-mercaptobenzoic acid IUPAC Name: 3-(dihexadecylsulfamoyl)-5-sulfanylbenzoic acid Traditional Name: 3-(dicetylsulfamoyl)-5-mercapto-benzoic acid Formula: C39H71NO4S2 MolecularWeight: 682.11534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)S(=O)(=O)C1=CC(=CC(=C1)S)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)S(=O)(=O)C1=CC(=CC(=C1)S)C(=O)O

InChI

InChI=1S/C39H71NO4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40(46(43,44)38-34-36(39(41)42)33-37(45)35-38)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,45H,3-32H2,1-2H3,(H,41,42)