1,3-bis(2-ethylsulfanylethyl)-4-nitro-imidazol-1-ium ethanoate

Systemtic Name: 1,3-bis(2-ethylsulfanylethyl)-4-nitro-imidazol-1-ium ethanoate Openeye Name: 1,3-bis(2-ethylsulfanylethyl)-4-nitro-imidazol-1-ium acetate CAS Name: 1,3-bis[2-(ethylthio)ethyl]-4-nitroimidazol-1-ium acetate IUPAC Name: 1,3-bis(2-ethylsulfanylethyl)-4-nitroimidazol-1-ium acetate Traditional Name: 1,3-bis[2-(ethylthio)ethyl]-4-nitro-imidazol-1-ium acetate Formula: C13H23N3O4S2 MolecularWeight: 349.46942

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C=[N+](C=C1[N+](=O)[O-])CCSCC.CC(=O)[O-]

Isomeric SMILES

CCSCCN1C=[N+](C=C1[N+](=O)[O-])CCSCC.CC(=O)[O-]

InChI

InChI=1S/C11H20N3O2S2.C2H4O2/c1-3-17-7-5-12-9-11(14(15)16)13(10-12)6-8-18-4-2;1-2(3)4/h9-10H,3-8H2,1-2H3;1H3,(H,3,4)/q+1;/p-1