sodium; benzenesulfonate; 4-[[2-(dimethylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium; benzenesulfonate; 4-[[2-(dimethylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]diazenyl]benzenesulfonate Openeye Name: sodium; benzenesulfonate; 4-[2-(dimethylcarbamoyloxy)-4-(trimethylammonio)phenyl]azobenzenesulfonate CAS Name: sodium; benzenesulfonate; 4-[2-[dimethylamino(oxo)methoxy]-4-(trimethylammonio)phenyl]azobenzenesulfonate IUPAC Name: sodium; benzenesulfonate; 4-[[2-(dimethylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[2-(dimethylcarbamoyloxy)-4-(trimethylammonio)phenyl]azobesylate besylate Formula: C24H27N4NaO8S2 MolecularWeight: 586.61295

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN(C)C(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H22N4O5S.C6H6O3S.Na/c1-21(2)18(23)27-17-12-14(22(3,4)5)8-11-16(17)20-19-13-6-9-15(10-7-13)28(24,25)26;7-10(8,9)6-4-2-1-3-5-6;/h6-12H,1-5H3;1-5H,(H,7,8,9);/q;;+1/p-1