2-(2-methyl-5-nitro-imidazol-1-yl)ethanesulfinic acid

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanesulfinic acid Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanesulfinic acid CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)ethanesulfinic acid IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanesulfinic acid Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanesulfinic acid Formula: C6H9N3O4S MolecularWeight: 219.21836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCS(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCS(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H9N3O4S/c1-5-7-4-6(9(10)11)8(5)2-3-14(12)13/h4H,2-3H2,1H3,(H,12,13)