Basic information
- Standard SMILES
CS(=O)(=O)OC(CCC(OS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
HLZYXJLJCKAYJM-UHFFFAOYSA-N- Molecular formula
- C18H20N2O10S2
- Average molar mass
- 488.5 g/mol
Names & identifiers
- Preferred name
- 1,4-Bis(4-nitrophenyl)butane-1,4-diyl dimethanesulfonate
- IUPAC
- [4-methylsulfonyloxy-1,4-bis(4-nitrophenyl)butyl] methanesulfonate
Names & synonyms
SCHEMBL2368747HLZYXJLJCKAYJM-UHFFFAOYSA-N1258232-49-3DB-1029641,4-Bis(4-nitrophenyl)butane-1,4-diyl dimethanesulfonate
Database identifiers
- PubChem CID
- 59617179
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 766
Related reactions
8 records
Compound notes
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