5,6-bis(chloranyl)-1,3-diethyl-2-methyl-2H-benzimidazole; 4-methylbenzenesulfonate

Systemtic Name: 5,6-bis(chloranyl)-1,3-diethyl-2-methyl-2H-benzimidazole; 4-methylbenzenesulfonate Openeye Name: 5,6-dichloro-1,3-diethyl-2-methyl-2H-benzimidazole; 4-methylbenzenesulfonate CAS Name: 5,6-dichloro-1,3-diethyl-2-methyl-2H-benzimidazole; 4-methylbenzenesulfonate IUPAC Name: 5,6-dichloro-1,3-diethyl-2-methyl-2H-benzimidazole; 4-methylbenzenesulfonate Traditional Name: 5,6-dichloro-1,3-diethyl-2-methyl-2H-benzimidazole tosylate Formula: C19H23Cl2N2O3S- MolecularWeight: 430.36852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16Cl2N2.C7H8O3S/c1-4-15-8(3)16(5-2)12-7-10(14)9(13)6-11(12)15;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/p-1