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

Systemtic Name: 6-diazonio-2-(diphenylmethyl)oxycarbonyl-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate Openeye Name: 2-benzhydryloxycarbonyl-6-diazonio-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate CAS Name: 6-diazonio-2-[(diphenylmethyl)oxy-oxomethyl]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate IUPAC Name: 2-benzhydryloxycarbonyl-6-diazonio-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate Traditional Name: 2-benzhydryloxycarbonyl-6-diazonio-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-en-7-olate Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(=C2[O-])[N+]#N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(=C2[O-])[N+]#N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O3S/c1-21(2)17(24-18(25)15(23-22)19(24)28-21)20(26)27-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16-17,19H,1-2H3