2-(2-Methyl-5-nitroimidazolyl)ethyl-z,z-octadeca-9,12-dienoate
Basic information
- Standard SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCc1nc(C)[nH]c1[N+](=O)[O-]- InChIKey
JZNXBHACVUJXHD-NQLNTKRDSA-N- Molecular formula
- C24H39N3O4
- Average molar mass
- 433.6 g/mol
Names & identifiers
- Preferred name
- 2-(2-Methyl-5-nitroimidazolyl)ethyl-z,z-octadeca-9,12-dienoate
- IUPAC
- 2-(2-methyl-5-nitro-1H-imidazol-4-yl)ethyl (9Z,12Z)-octadeca-9,12-dienoate
Names & synonyms
JZNXBHACVUJXHD-NQLNTKRDSA-N2-(2-methyl-5-nitroimidazolyl)ethyl-z,z-octadeca-9,12-dienoate
Database identifiers
- PubChem CID
- 136388346
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 545
Related reactions
3 records
Compound notes
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