4-methylbenzenesulfonate; 4,4,5,5-tetramethyl-2-undecyl-1H-imidazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 4,4,5,5-tetramethyl-2-undecyl-1H-imidazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 4,4,5,5-tetramethyl-2-undecyl-1H-imidazol-3-ium CAS Name: 4-methylbenzenesulfonate; 4,4,5,5-tetramethyl-2-undecyl-1H-imidazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 4,4,5,5-tetramethyl-2-undecyl-1H-imidazol-3-ium Traditional Name: 4,4,5,5-tetramethyl-2-undecyl-2-imidazolin-1-ium tosylate Formula: C25H44N2O3S MolecularWeight: 452.69346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[NH+]C(C(N1)(C)C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=[NH+]C(C(N1)(C)C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H36N2.C7H8O3S/c1-6-7-8-9-10-11-12-13-14-15-16-19-17(2,3)18(4,5)20-16;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H2,1-5H3,(H,19,20);2-5H,1H3,(H,8,9,10)