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Basic information
- CAS
68938-91-0- Standard SMILES
CC(C)O.CCCCCCC(O)CC=CCCCCCCCC(=O)O.CCCCCCC(O)CC=CCCCCCCCC(=O)O.CCCCCCC(O)CC=CCCCCCCCC(=O)O.[Ti]- InChIKey
ZRGNVCUQCALTRK-UHFFFAOYSA-N- Molecular formula
- C57H110O10Ti
- Average molar mass
- 1,003.3 g/mol
- Monoisotopic mass
- 1,002.7578404
Names & identifiers
- Preferred name
- Titanium(4+) 12-hydroxyoctadec-9-enoate propan-2-olate (1/3/1)
- IUPAC
- tris(12-hydroxyoctadec-9-enoic acid);propan-2-ol;titanium
Names & synonyms
DTXSID701146880Titanium(4+) 12-hydroxyoctadec-9-enoate propan-2-olate (1/3/1)(T-4)-Tris[(9Z,12R)-12-hydroxy-9-octadecenoato-I masculineO](2-propanolato)titanium
Database identifiers
- CAS
68938-91-0- PubChem CID
- 173166
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 45
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 968
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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