Basic information
- Standard SMILES
C=C(C)C(=O)OCCCCCCCCCCCOC(=O)c1cc(CCCCCCOOc2ccc(/C=C/C(=O)OC)cc2OC)ccc1OC(=O)c1ccc(CCCCC)cc1- InChIKey
QIFBAMPSZOISLP-PJJLUWSFSA-N- Molecular formula
- C51H68O11
- Average molar mass
- 857.1 g/mol
Names & identifiers
- Preferred name
- (E)-2-[4-pentylbenzoyloxy]-5-[6-[2-methoxy-4-(methoxycarbonylvinyl)phenoxy]oxyhexyl]benzoic acid 11-(2-methylacryloyloxy)undecyl ester
- IUPAC
- 11-(2-methylprop-2-enoyloxy)undecyl 5-[6-[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]peroxyhexyl]-2-(4-pentylbenzoyl)oxybenzoate
Names & synonyms
SCHEMBL7054198QIFBAMPSZOISLP-PJJLUWSFSA-N(E)-2-[4-pentylbenzoyloxy]-5-[6-[2-methoxy-4-(methoxycarbonylvinyl)phenoxy]oxyhexyl]benzoic acid 11-(2-methylacryloyloxy)undecyl ester
Database identifiers
- PubChem CID
- 86759258
Properties
Computed structural properties
- XLogP
- 14.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 36
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
1 records
Compound notes
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