Basic information
- CAS
63555-33-9- Standard SMILES
O=C(OCCO)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12.[Na]- InChIKey
OZGKJQZAGHRQSF-UHFFFAOYSA-N- Molecular formula
- C22H8Br4Cl4NaO6
- Average molar mass
- 852.7 g/mol
- Monoisotopic mass
- 846.57062
Names & identifiers
- Preferred name
- CID 6330643
Names & synonyms
63555-33-9DTXSID909797762-Hydroxyethyl 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoate--sodium (1/1)
Database identifiers
- CAS
63555-33-9- PubChem CID
- 6330643
- DTXSID
DTXSID90979776
Properties
Computed structural properties
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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