[2-[(2-nitroimidazol-1-yl)methoxy]-3-sulfooxy-propyl] ethanoate

Systemtic Name: [2-[(2-nitroimidazol-1-yl)methoxy]-3-sulfooxy-propyl] ethanoate Openeye Name: [2-[(2-nitroimidazol-1-yl)methoxy]-3-sulfooxy-propyl] acetate CAS Name: acetic acid [2-[(2-nitro-1-imidazolyl)methoxy]-3-sulfooxypropyl] ester IUPAC Name: [2-[(2-nitroimidazol-1-yl)methoxy]-3-sulfooxypropyl] acetate Traditional Name: acetic acid [2-[(2-nitroimidazol-1-yl)methoxy]-3-sulfoxy-propyl] ester Formula: C9H13N3O9S MolecularWeight: 339.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COS(=O)(=O)O)OCN1C=CN=C1[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC(COS(=O)(=O)O)OCN1C=CN=C1[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O9S/c1-7(13)19-4-8(5-21-22(16,17)18)20-6-11-3-2-10-9(11)12(14)15/h2-3,8H,4-6H2,1H3,(H,16,17,18)