methanesulfonic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol

Systemtic Name: methanesulfonic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Openeye Name: methanesulfonic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol CAS Name: methanesulfonic acid; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol IUPAC Name: methanesulfonic acid; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol Traditional Name: mesylic acid; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Formula: C7H13N3O6S MolecularWeight: 267.25962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].CS(=O)(=O)O

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].CS(=O)(=O)O

InChI

InChI=1S/C6H9N3O3.CH4O3S/c1-5-7-4-6(9(11)12)8(5)2-3-10;1-5(2,3)4/h4,10H,2-3H2,1H3;1H3,(H,2,3,4)