3-(nitrooxymethyl)-8-oxidanylidene-7-[1-[2,2,2-tris(chloranyl)ethoxycarbonyloxy]ethyl]-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(nitrooxymethyl)-8-oxidanylidene-7-[1-[2,2,2-tris(chloranyl)ethoxycarbonyloxy]ethyl]-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(nitrooxymethyl)-8-oxo-7-[1-(2,2,2-trichloroethoxycarbonyloxy)ethyl]-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(nitrooxymethyl)-8-oxo-7-[1-[oxo(2,2,2-trichloroethoxy)methoxy]ethyl]-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(nitrooxymethyl)-8-oxo-7-[1-(2,2,2-trichloroethoxycarbonyloxy)ethyl]-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-(nitrooxymethyl)-7-[1-(2,2,2-trichloroethoxycarbonyloxy)ethyl]-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C12H10Cl3N2O9S2- MolecularWeight: 496.7048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(SS2)CO[N+](=O)[O-])C(=O)[O-])OC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(SS2)CO[N+](=O)[O-])C(=O)[O-])OC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C12H11Cl3N2O9S2/c1-4(26-11(21)24-3-12(13,14)15)6-8(18)16-7(10(19)20)5(2-25-17(22)23)27-28-9(6)16/h4,6,9H,2-3H2,1H3,(H,19,20)/p-1