5-(dihexadecylsulfamoyl)-2-sulfanyl-benzoic acid

Systemtic Name: 5-(dihexadecylsulfamoyl)-2-sulfanyl-benzoic acid Openeye Name: 5-(dihexadecylsulfamoyl)-2-sulfanyl-benzoic acid CAS Name: 5-(dihexadecylsulfamoyl)-2-mercaptobenzoic acid IUPAC Name: 5-(dihexadecylsulfamoyl)-2-sulfanylbenzoic acid Traditional Name: 5-(dicetylsulfamoyl)-2-mercapto-benzoic acid Formula: C39H71NO4S2 MolecularWeight: 682.11534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H71NO4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-40(46(43,44)36-31-32-38(45)37(35-36)39(41)42)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35,45H,3-30,33-34H2,1-2H3,(H,41,42)