Ethylenebis(p-nitrobenzenesulfonate)
Basic information
- CAS
25297-82-9- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
UJHNMJVBMNBRLG-UHFFFAOYSA-N- Molecular formula
- C14H12N2O10S2
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 431.99333693
Names & identifiers
- Preferred name
- Ethylenebis(p-nitrobenzenesulfonate)
- IUPAC
- 2-(4-nitrophenyl)sulfonyloxyethyl 4-nitrobenzenesulfonate
Names & synonyms
Ethylenebis(p-nitrobenzenesulfonate)25297-82-9NSC115800NSC 115800Benzenesulfonic acid, 4-nitro-, 1,2-ethanediyl esterSCHEMBL30865768DTXSID50179937Benzenesulfonic acid, 4-nitro-, 1,2-ethanediyl ester (9CI)NSC-115800Benzenesulfonic acid, 1,2-ethanediyl esterDS-007065Ethane-1,2-diyl bis(4-nitrobenzene-1-sulfonate)
Show more names
BENZENESULFONIC ACID,4-NITRO-, 1,2-ETHANEDIYL ESTER (9CI)
Database identifiers
- CAS
25297-82-9- PubChem CID
- 97326
- DTXSID
DTXSID50179937- Nikkaji
- J3.777.009D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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