Basic information
- CAS
6953-06-6- Standard SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)OCCCCOS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1- InChIKey
UKQSJULXYUUUFU-UHFFFAOYSA-N- Molecular formula
- C16H16N2O10S2
- Average molar mass
- 460.4 g/mol
- Monoisotopic mass
- 460.02463706
Names & identifiers
- Preferred name
- Tetramethylenebis(m-nitrogenzenesulfonate)
- IUPAC
- 4-(3-nitrophenyl)sulfonyloxybutyl 3-nitrobenzenesulfonate
Names & synonyms
Tetramethylenebis(m-nitrogenzenesulfonate)6953-06-6DTXSID30219784NSC70890NSC 70890NSC-70890Butane-1,4-diyl bis(3-nitrobenzene-1-sulfonate)Benzenesulfonic acid, 3-nitro-, 1,4-butanediyl esterBenzenesulfonic acid, 3-nitro-, 1,4-butanediyl ester (9CI)
Database identifiers
- CAS
6953-06-6- PubChem CID
- 96372
- DTXSID
DTXSID30219784
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 724
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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