4-methylbenzenesulfonate; 2-(4-nitroimidazol-1-yl)ethanol

Systemtic Name: 4-methylbenzenesulfonate; 2-(4-nitroimidazol-1-yl)ethanol Openeye Name: 4-methylbenzenesulfonate; 2-(4-nitroimidazol-1-yl)ethanol CAS Name: 4-methylbenzenesulfonate; 2-(4-nitro-1-imidazolyl)ethanol IUPAC Name: 4-methylbenzenesulfonate; 2-(4-nitroimidazol-1-yl)ethanol Traditional Name: 2-(4-nitroimidazol-1-yl)ethanol tosylate Formula: C12H14N3O6S- MolecularWeight: 328.32106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=C(N=CN1CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=C(N=CN1CCO)[N+](=O)[O-]

InChI

InChI=1S/C7H8O3S.C5H7N3O3/c1-6-2-4-7(5-3-6)11(8,9)10;9-2-1-7-3-5(6-4-7)8(10)11/h2-5H,1H3,(H,8,9,10);3-4,9H,1-2H2/p-1