Terminology Service for NFDI4Health
2,4,5-trinitrobenzenesulfonic acid
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http://purl.obolibrary.org/obo/CHEBI_53506
An arenesulfonic acid that is benzene with a sulfo group at position 1 and three nitro substituents in the 2-, 4- and 5-positions.
Term info
Label
2,4,5-trinitrobenzenesulfonic acid
Synonyms
- 2,4,5-trinitrobenzenesulfonic acid
Subsets
3_STAR
charge
0
formula
C6H3N3O9S
has obo namespace
chebi_ontology
has related synonym
trinitrobenzenesulfonic acid, 2,4,5-Trinitrobenzolsulfonsaeure, trinitrobenzene sulfonic acid
id
CHEBI:53506
inchi
InChI=1S/C6H3N3O9S/c10-7(11)3-1-5(9(14)15)6(19(16,17)18)2-4(3)8(12)13/h1-2H,(H,16,17,18)
inchikey
HUPDIVYMUZMPMO-UHFFFAOYSA-N
mass
293.16800
monoisotopicmass
292.95900
smiles
OS(=O)(=O)c1cc(c(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O