[Ethoxycarbonyl-(4-nitrophenyl)sulfonylamino] 4-nitrobenzenesulfonate
Basic information
- CAS
2955-75-1- Standard SMILES
CCOC(=O)N(OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
ZOLXZUXKISWHNT-UHFFFAOYSA-N- Molecular formula
- C15H13N3O11S2
- Average molar mass
- 475.4 g/mol
- Monoisotopic mass
- 474.99915059
Names & identifiers
- Preferred name
- [Ethoxycarbonyl-(4-nitrophenyl)sulfonylamino] 4-nitrobenzenesulfonate
- IUPAC
- [ethoxycarbonyl-(4-nitrophenyl)sulfonylamino] 4-nitrobenzenesulfonate
Names & synonyms
2955-75-1NSC133407DTXSID50952045NSC-133407Ethyl (4-nitrobenzene-1-sulfonyl)[(4-nitrobenzene-1-sulfonyl)oxy]carbamate
Database identifiers
- CAS
2955-75-1- PubChem CID
- 280977
- DTXSID
DTXSID50952045
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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