CID 6330645
Basic information
- CAS
63555-35-1- Standard SMILES
O=C(OCC(O)CO)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
VPGADYJFMCJVFW-UHFFFAOYSA-N- Molecular formula
- C23H10Cl4I4NaO7
- Average molar mass
- 1,070.7 g/mol
- Monoisotopic mass
- 1,068.5257
Names & identifiers
- Preferred name
- CID 6330645
Names & synonyms
63555-35-1DTXSID109797782,3-Dihydroxypropyl 2,3,4,5-tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)benzoate--sodium (1/1)
Database identifiers
- CAS
63555-35-1- PubChem CID
- 6330645
- DTXSID
DTXSID10979778
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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