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

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

Systemtic Name:5-(dihexylsulfamoyl)-2-(phenylmethylsulfanyl)benzoic acid
Openeye Name:2-benzylsulfanyl-5-(dihexylsulfamoyl)benzoic acid
CAS Name:5-(dihexylsulfamoyl)-2-(phenylmethylthio)benzoic acid
IUPAC Name:2-benzylsulfanyl-5-(dihexylsulfamoyl)benzoic acid
Traditional Name:2-(benzylthio)-5-(dihexylsulfamoyl)benzoic acid
Formula: C26H37NO4S2
MolecularWeight: 491.70628
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)C(=O)O


Isomeric SMILES

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)C(=O)O


InChI

InChI=1S/C26H37NO4S2/c1-3-5-7-12-18-27(19-13-8-6-4-2)33(30,31)23-16-17-25(24(20-23)26(28)29)32-21-22-14-10-9-11-15-22/h9-11,14-17,20H,3-8,12-13,18-19,21H2,1-2H3,(H,28,29)


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