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

Systemtic Name: 6-diazonio-3,3-dimethyl-2-phenylmethoxycarbonyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate Openeye Name: 2-benzyloxycarbonyl-6-diazonio-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate CAS Name: 6-diazonio-3,3-dimethyl-2-phenylmethoxycarbonyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate IUPAC Name: 6-diazonio-3,3-dimethyl-2-phenylmethoxycarbonyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate Traditional Name: 2-carbobenzoxy-6-diazonio-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(=C2[O-])[N+]#N)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N2C(S1)C(=C2[O-])[N+]#N)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C15H15N3O3S/c1-15(2)11(18-12(19)10(17-16)13(18)22-15)14(20)21-8-9-6-4-3-5-7-9/h3-7,11,13H,8H2,1-2H3