5-(didodecylsulfamoyl)-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 5-(didodecylsulfamoyl)-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzylsulfanyl-5-(didodecylsulfamoyl)benzoic acid CAS Name: 5-(didodecylsulfamoyl)-2-(phenylmethylthio)benzoic acid IUPAC Name: 2-benzylsulfanyl-5-(didodecylsulfamoyl)benzoic acid Traditional Name: 2-(benzylthio)-5-(dilaurylsulfamoyl)benzoic acid Formula: C38H61NO4S2 MolecularWeight: 660.02524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C38H61NO4S2/c1-3-5-7-9-11-13-15-17-19-24-30-39(31-25-20-18-16-14-12-10-8-6-4-2)45(42,43)35-28-29-37(36(32-35)38(40)41)44-33-34-26-22-21-23-27-34/h21-23,26-29,32H,3-20,24-25,30-31,33H2,1-2H3,(H,40,41)