5-(dihexylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-(dihexylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-(dihexylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 5-(dihexylsulfamoyl)-2-[(4-nitrophenyl)methylthio]benzoic acid IUPAC Name: 5-(dihexylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-(dihexylsulfamoyl)-2-[(4-nitrobenzyl)thio]benzoic acid Formula: C26H36N2O6S2 MolecularWeight: 536.70384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H36N2O6S2/c1-3-5-7-9-17-27(18-10-8-6-4-2)36(33,34)23-15-16-25(24(19-23)26(29)30)35-20-21-11-13-22(14-12-21)28(31)32/h11-16,19H,3-10,17-18,20H2,1-2H3,(H,29,30)