2,4,6-Trinitrobenzene Sulfonate

HCID 115142

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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

Related reactions

2 records

Compound notes

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