sodium 3,3-dimethyl-6-(4-nitrophenyl)sulfonyloxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-6-(4-nitrophenyl)sulfonyloxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 3,3-dimethyl-6-(4-nitrophenyl)sulfonyloxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3,3-dimethyl-6-(4-nitrophenyl)sulfonyloxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3,3-dimethyl-6-(4-nitrophenyl)sulfonyloxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 7-keto-3,3-dimethyl-6-nosyloxy-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C14H13N2NaO8S2 MolecularWeight: 424.38139

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-])C.[Na+]

InChI

InChI=1S/C14H14N2O8S2.Na/c1-14(2)10(13(18)19)15-11(17)9(12(15)25-14)24-26(22,23)8-5-3-7(4-6-8)16(20)21;/h3-6,9-10,12H,1-2H3,(H,18,19);/q;+1/p-1