3-(dihexadecylsulfamoyl)-4-sulfanyl-benzoic acid

Systemtic Name: 3-(dihexadecylsulfamoyl)-4-sulfanyl-benzoic acid Openeye Name: 3-(dihexadecylsulfamoyl)-4-sulfanyl-benzoic acid CAS Name: 3-(dihexadecylsulfamoyl)-4-mercaptobenzoic acid IUPAC Name: 3-(dihexadecylsulfamoyl)-4-sulfanylbenzoic acid Traditional Name: 3-(dicetylsulfamoyl)-4-mercapto-benzoic acid Formula: C39H71NO4S2 MolecularWeight: 682.11534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H71NO4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-40(46(43,44)38-35-36(39(41)42)31-32-37(38)45)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)