Basic information
- CAS
74198-03-1- Standard SMILES
O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12.[Na+]- InChIKey
UGBBGRBSCHOXSE-UHFFFAOYSA-N- Molecular formula
- C20H4Cl4I4NaO5+
- Average molar mass
- 996.7 g/mol
- Monoisotopic mass
- 994.4889
Names & identifiers
- Preferred name
- Sodium 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acid
- IUPAC
- sodium 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acid
Names & synonyms
NSC27009174198-03-1NSC-270091
Database identifiers
- CAS
74198-03-1- PubChem CID
- 54599656
Properties
Computed structural properties
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 1
- Complexity
- 988
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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