benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(2,4,6-trimethylphenyl)diazene

Systemtic Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(2,4,6-trimethylphenyl)diazene Openeye Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(2,4,6-trimethylphenyl)diazene CAS Name: benzenesulfonate; (1,3-dimethyl-2-benzimidazol-3-iumyl)-(2,4,6-trimethylphenyl)diazene IUPAC Name: benzenesulfonate; (1,3-dimethylbenzimidazol-3-ium-2-yl)-(2,4,6-trimethylphenyl)diazene Traditional Name: (1,3-dimethylbenzimidazol-3-ium-2-yl)-mesityl-diazene besylate Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N4.C6H6O3S/c1-12-10-13(2)17(14(3)11-12)19-20-18-21(4)15-8-6-7-9-16(15)22(18)5;7-10(8,9)6-4-2-1-3-5-6/h6-11H,1-5H3;1-5H,(H,7,8,9)/q+1;/p-1