Basic information
- CAS
147129-85-9- Standard SMILES
CCCCCCCCOP(=O)([O-])OP(=O)([O-])OCCCCCCCC.CCCCCCCC[O-].CCCCCCCC[O-].[Zr+4]- InChIKey
NAHLLMIJRGGFEC-UHFFFAOYSA-L- Molecular formula
- C32H68O9P2Zr
- Average molar mass
- 750 g/mol
- Monoisotopic mass
- 748.338556
Names & identifiers
- Preferred name
- Bis(octan-1-olate);[octoxy(oxido)phosphoryl] octyl phosphate;zirconium(4+)
- IUPAC
- bis(octan-1-olate);[octoxy(oxido)phosphoryl] octyl phosphate;zirconium(4+)
Database identifiers
- CAS
147129-85-9- PubChem CID
- 170852002
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 30
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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