Basic information
- Standard SMILES
C=C(C)C(=O)OCCCCCCCCCCCOC(=O)c1cc(CCCCCCOOc2ccc(/C=C/C(=O)OC)cc2OC)ccc1O- InChIKey
MTZIQCDOODTFFF-DARPEHSRSA-N- Molecular formula
- C39H54O10
- Average molar mass
- 682.8 g/mol
- Monoisotopic mass
- 682.37169792
Names & identifiers
- Preferred name
- (E)-2-hydroxy-5-[6-[2-methoxy-4-(methoxycarbonylvinyl)phenoxy]oxyhexyl]benzoic acid 11-(2-methylacryloyloxy)undecyl ester
- IUPAC
- 11-(2-methylprop-2-enoyloxy)undecyl 2-hydroxy-5-[6-[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]peroxyhexyl]benzoate
Names & synonyms
SCHEMBL6884465MTZIQCDOODTFFF-DARPEHSRSA-N(E)-2-hydroxy-5-[6-[2-methoxy-4-(methoxycarbonylvinyl)phenoxy]oxyhexyl]benzoic acid 11-(2-methylacryloyloxy)undecyl ester
Database identifiers
- PubChem CID
- 86759259
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 29
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 965
Related reactions
2 records
Compound notes
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