Basic information
- Standard SMILES
CC(CO)OCC(C)OCC(O)C(C(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
OHVBIIWRHVNKCU-UHFFFAOYSA-N- Molecular formula
- C23H26N2O10
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.15874503
Names & identifiers
- Preferred name
- Bis-(4-nitrobenzoyl)-tripropylene glycol
- IUPAC
- 2-[1-hydroxy-2-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]ethyl]-1,3-bis(4-nitrophenyl)propane-1,3-dione
Names & synonyms
SCHEMBL9420496OHVBIIWRHVNKCU-UHFFFAOYSA-Nbis-(4-nitrobenzoyl)-tripropylene glycol
Database identifiers
- PubChem CID
- 86743032
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 675
Related reactions
1 records
Compound notes
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