1,1'-Sulfonylbis(4-butoxy-3-nitrobenzene)
Basic information
- CAS
3704-32-3- Standard SMILES
CCCCOc1ccc(S(=O)(=O)c2ccc(OCCCC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]- InChIKey
ZRSNQOMIUDVNOA-UHFFFAOYSA-N- Molecular formula
- C20H24N2O8S
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.1253369
Names & identifiers
- Preferred name
- 1,1'-Sulfonylbis(4-butoxy-3-nitrobenzene)
- IUPAC
- 1-butoxy-4-(4-butoxy-3-nitrophenyl)sulfonyl-2-nitrobenzene
Names & synonyms
3704-32-3NSC1777161,1'-sulfonylbis(4-butoxy-3-nitrobenzene)DTXSID90306583NSC-177716DS-0027881-butoxy-4-(4-butoxy-3-nitro-phenyl)sulfonyl-2-nitro-benzene
Database identifiers
- CAS
3704-32-3- PubChem CID
- 301221
- DTXSID
DTXSID90306583
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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