Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)c1ccccc1- InChIKey
IIBIUXBLSUOBLQ-UHFFFAOYSA-N- Molecular formula
- C47H59NO4
- Average molar mass
- 702 g/mol
Names & identifiers
- Preferred name
- [1-(Octadec-9-enoylamino)-3-trityloxypropan-2-yl] benzoate
- IUPAC
- [1-(octadec-9-enoylamino)-3-trityloxypropan-2-yl] benzoate
Names & synonyms
SCHEMBL6348309
Database identifiers
- PubChem CID
- 69748784
Properties
Computed structural properties
- XLogP
- 13.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 909
Related reactions
1 records
Compound notes
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