1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium; 4-methylbenzenesulfonate CAS Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,3-dimesitylimidazol-1-ium tosylate Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C21H25N2.C7H8O3S/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-13H,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1