2-(2-ethyl-5-nitro-imidazol-1-yl)ethanol; 4-methylbenzenesulfonate

Systemtic Name: 2-(2-ethyl-5-nitro-imidazol-1-yl)ethanol; 4-methylbenzenesulfonate Openeye Name: 2-(2-ethyl-5-nitro-imidazol-1-yl)ethanol; 4-methylbenzenesulfonate CAS Name: 2-(2-ethyl-5-nitro-1-imidazolyl)ethanol; 4-methylbenzenesulfonate IUPAC Name: 2-(2-ethyl-5-nitroimidazol-1-yl)ethanol; 4-methylbenzenesulfonate Traditional Name: 2-(2-ethyl-5-nitro-imidazol-1-yl)ethanol tosylate Formula: C14H18N3O6S- MolecularWeight: 356.37422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(N1CCO)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=NC=C(N1CCO)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H11N3O3.C7H8O3S/c1-2-6-8-5-7(10(12)13)9(6)3-4-11;1-6-2-4-7(5-3-6)11(8,9)10/h5,11H,2-4H2,1H3;2-5H,1H3,(H,8,9,10)/p-1