Completing data — usually done within a minute
Basic information
- CAS
16655-63-3- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)[O-])c([N+](=O)[O-])c1- InChIKey
NHJVRSWLHSJWIN-UHFFFAOYSA-M- Molecular formula
- C6H2N3O9S-
- Average molar mass
- 292.16 g/mol
- Monoisotopic mass
- 291.95172322
Names & identifiers
- Preferred name
- 2,4,6-Trinitrobenzene Sulfonate
- IUPAC
- 2,4,6-trinitrobenzenesulfonate
Names & synonyms
2,4,6-Trinitrobenzene SulfonateRefChem:90870816655-63-32,4,6-trinitrobenzenesulfonate2,4,6-Trinitrobenzenesulfonic acid ion(1-)DTXSID309372142,4,6-trinitrobenzene sulphonateNHJVRSWLHSJWIN-UHFFFAOYSA-M2,4,6-Trinitrobenzene-1-sulfonateBenzenesulfonic acid, 2,4,6-trinitro-, ion(1-)
Database identifiers
- CAS
16655-63-3- PubChem CID
- 115142
- DTXSID
DTXSID30937214
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- -1
- Complexity
- 457
Related reactions
2 records
Compound notes
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