2-(diphenylmethyl)oxycarbonyl-3,3-dimethyl-7-oxidanyl-4-thia-1-azabicyclo[3.2.0]hept-6-ene-6-diazonium

Systemtic Name: 2-(diphenylmethyl)oxycarbonyl-3,3-dimethyl-7-oxidanyl-4-thia-1-azabicyclo[3.2.0]hept-6-ene-6-diazonium Openeye Name: 2-benzhydryloxycarbonyl-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-ene-6-diazonium CAS Name: 2-[(diphenylmethyl)oxy-oxomethyl]-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-ene-6-diazonium IUPAC Name: 2-benzhydryloxycarbonyl-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-ene-6-diazonium Traditional Name: 2-benzhydryloxycarbonyl-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-ene-6-diazonium Formula: C21H20N3O3S+ MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(=C2O)[N+]#N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(=C2O)[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/p+1