benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(2,3,5,6-tetramethylphenyl)diazene

Systemtic Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(2,3,5,6-tetramethylphenyl)diazene Openeye Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(2,3,5,6-tetramethylphenyl)diazene CAS Name: benzenesulfonate; (1,3-dimethyl-2-benzimidazol-3-iumyl)-(2,3,5,6-tetramethylphenyl)diazene IUPAC Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(2,3,5,6-tetramethylphenyl)diazene Traditional Name: (1,3-dimethylbenzimidazol-3-ium-2-yl)-(2,3,5,6-tetramethylphenyl)diazene besylate Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)N=NC2=[N+](C3=CC=CC=C3N2C)C)C)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1C)N=NC2=[N+](C3=CC=CC=C3N2C)C)C)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H23N4.C6H6O3S/c1-12-11-13(2)15(4)18(14(12)3)20-21-19-22(5)16-9-7-8-10-17(16)23(19)6;7-10(8,9)6-4-2-1-3-5-6/h7-11H,1-6H3;1-5H,(H,7,8,9)/q+1;/p-1