Basic information
- CAS
93894-06-5- Standard SMILES
CCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[Al+3]- InChIKey
YITMMULRTZBHKV-LWTKGLMZSA-K- Molecular formula
- C48H87AlO6
- Average molar mass
- 787.2 g/mol
- Monoisotopic mass
- 786.6318039
Names & identifiers
- Preferred name
- Aluminium (Z)-hexadec-9-enoate
- IUPAC
- aluminum tris((Z)-hexadec-9-enoate)
Names & synonyms
Aluminium (Z)-hexadec-9-enoateEINECS 299-700-993894-06-5SCHEMBL4921422YITMMULRTZBHKV-LWTKGLMZSA-KNS00091407
Database identifiers
- CAS
93894-06-5- PubChem CID
- 44151981
- EC Number
- 299-700-9
- Nikkaji
- J318.585K
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 36
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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