CAS Registry Number®
76646-91-8
CAS Name
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-
Molecular Formula
C8H9Br2NO5S
Molecular Mass
391.03
Compound Properties
-
Melting Point (1)
177-178 °C (decomp)
Source(s)
- (1) Zhang, H.-L.; Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry, (2012), 42(8), 1083-1086, CAplus
Other Names and Identifiers
InChI
InChI=1S/C8H9Br2NO5S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)17(7,15)16/h3,6H,1-2H3,(H,12,13)/t3-,6+/m0/s1
InChIKey
InChIKey=DZYBRGUNKNPEKM-BBIVZNJYSA-N
SMILES
O=S1(=O)[C@]2(N([C@@H](C(O)=O)C1(C)C)C(=O)C2(Br)Br)[H]
Canonical SMILES
O=C(O)C1N2C(=O)C(Br)(Br)C2S(=O)(=O)C1(C)C
Other Names for this Substance
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S–cis)-
- 6,6-Dibromopenicillanic acid 1,1-dioxide
- 6,6-Dibromopenicillanic acid S,S-dioxide
Deleted or Replaced CAS Registry Numbers
127140-70-9
