HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 175261Generated: November 3, 2026
Cuprate(3-), [mu-[4-[2-[3,3'-di(hydroxy-kappaO)-4'-[2-[2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl]diazenyl-kappaN1][1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, lithium (1:3)
https://huagongshe.com/en/chemical/175261
Identifiers & Physical Properties
| CAS No. | 72906-63-9 |
|---|
| Molecular formula | C32H15Cu2Li3N4O13S3 |
|---|
| Average molar mass | 907.7 g/mol |
|---|
| Monoisotopic mass | 905.88698 g/mol |
|---|
| SMILES | O=S(=O)([O-])c1ccc2c(N=Nc3ccc(-c4ccc(N=Nc5c([O-])c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc56)c([O-])c4)cc3[O-])c([O-])ccc2c1.[Cu+2].[Cu+2].[Li+].[Li+].[Li+] |
|---|
| InChIKey | BERXHMVEBURKAD-UHFFFAOYSA-G |
|---|
| PubChem CID | 175261 |
|---|
| EC No. | 277-009-3 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 338 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 17 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 57 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,610 |
|---|
![Cuprate(3-), [mu-[4-[2-[3,3'-di(hydroxy-kappaO)-4'-[2-[2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl]diazenyl-kappaN1][1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, lithium (1:3) molecular structure](/img/chemical/175261.png)