Ammonium, bis(3-hydroxypropyl)dimethyl-, 2,4,6-trinitrobenzenesulfonate, dimethanesulfonate, (ester)
Basic information
- CAS
3506-06-7- Standard SMILES
C[N+](C)(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)[O-])c([N+](=O)[O-])c1- InChIKey
BRHSXGAOTZRFSP-UHFFFAOYSA-M- Molecular formula
- C16H26N4O15S3
- Average molar mass
- 610.6 g/mol
- Monoisotopic mass
- 610.05567966
Names & identifiers
- Preferred name
- Ammonium, bis(3-hydroxypropyl)dimethyl-, 2,4,6-trinitrobenzenesulfonate, dimethanesulfonate, (ester)
- IUPAC
- dimethyl-bis(3-methylsulfonyloxypropyl)azanium;2,4,6-trinitrobenzenesulfonate
Names & synonyms
Ammonium, bis(3-hydroxypropyl)dimethyl-, 2,4,6-trinitrobenzenesulfonate, dimethanesulfonate, (ester)DTXSID101885603506-06-7RefChem:1076859DTXCID70111051NIOSH/BP8243832BP824383203,3'-Dimesyloxy-N-dimethyldipropylammonium picrylsulfonateAmmonium, dimethyl(3,3-dihydroxypropyl)-, dimethanesulfonate, picrylsulfonateDimethyl(3,3-dihydroxypropyl)ammonium dimethanesulfonate picrylsulfonateBis(3-hydroxypropyl)dimethylammonium 2,4,6-trinitrobenzenesulfonate dimethanesulfonate3-[(Methanesulfonyl)oxy]-N-{3-[(methanesulfonyl)oxy]propyl}-N,N-dimethylpropan-1-aminium 2,4,6-trinitrobenzene-1-sulfonate
Database identifiers
- CAS
3506-06-7- PubChem CID
- 19018
- DTXSID
DTXSID10188560
Properties
Computed structural properties
- Topological polar surface area
- 307 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 858
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Compound notes
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