Basic information
- CAS
68171-61-9- Standard SMILES
CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(C)=O.CCCCCCC(CCCCCCCCCCC(=O)[O-])OC(C)=O.[Ca+2]- InChIKey
OELKSGXMBPJHFW-UHFFFAOYSA-L- Molecular formula
- C40H74CaO8
- Average molar mass
- 723.1 g/mol
- Monoisotopic mass
- 722.5009602
Names & identifiers
- Preferred name
- Octadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)
- IUPAC
- calcium bis(12-acetyloxyoctadecanoate)
Names & synonyms
68171-61-9EINECS 269-033-8Octadecanoic acid, 12-(acetyloxy)-, calcium saltOctadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1)DTXSID40890967RefChem:167621DTXCID101030215Calcium 12-(acetoxy)octadecanoateOELKSGXMBPJHFW-UHFFFAOYSA-LCalcium bis[12-(acetyloxy)octadecanoate]NS00062858
Database identifiers
- CAS
68171-61-9- PubChem CID
- 109201
- DTXSID
DTXSID40890967- EC Number
- 269-033-8
- Nikkaji
- J317.384D
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 34
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 309
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 12-(acetyloxy)-, calcium salt (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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