Tris(2-(octadec-9-enoyloxy)ethyl)ammonium acetate
Basic information
- CAS
97337-94-5- Standard SMILES
CC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C/CCCCCCCC)CCOC(=O)CCCCCCC/C=C/CCCCCCCC- InChIKey
DJCHKVHHWCAHEH-ONUIFWESSA-N- Molecular formula
- C62H115NO8
- Average molar mass
- 1,002.6 g/mol
- Monoisotopic mass
- 1,001.86226963
Names & identifiers
- Preferred name
- Tris(2-(octadec-9-enoyloxy)ethyl)ammonium acetate
- IUPAC
- acetic acid;2-[bis[2-[(E)-octadec-9-enoyl]oxyethyl]amino]ethyl (E)-octadec-9-enoate
Names & synonyms
EINECS 306-588-897337-94-5Tris(2-(octadec-9-enoyloxy)ethyl)ammonium acetateDJCHKVHHWCAHEH-ONUIFWESSA-N
Database identifiers
- CAS
97337-94-5- PubChem CID
- 44153122
- EC Number
- 306-588-8
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 57
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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