6-diazonio-2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate

Systemtic Name: 6-diazonio-2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate Openeye Name: 6-diazonio-2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate CAS Name: 6-diazonio-2-[(2,2-dimethyl-1-oxopropoxy)methoxy-oxomethyl]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate IUPAC Name: 6-diazonio-2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate Traditional Name: 6-diazonio-3,3-dimethyl-2-(pivaloyloxymethoxycarbonyl)-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(=C2[O-])[N+]#N)C(=O)OCOC(=O)C(C)(C)C)C

Isomeric SMILES

CC1(C(N2C(S1)C(=C2[O-])[N+]#N)C(=O)OCOC(=O)C(C)(C)C)C

InChI

InChI=1S/C14H19N3O5S/c1-13(2,3)12(20)22-6-21-11(19)8-14(4,5)23-10-7(16-15)9(18)17(8)10/h8,10H,6H2,1-5H3