Cyanuric acid

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Systematic / IUPAC Name: 1,3,5-Triazinane-2,4,6-trione

ID: Reference2514

Other Names: Isocyanuric acid;
Trihydroxycyanidine;
Sym-triazinetriol;
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione;
Tricyanic acid ; more

Formula: C3H3N3O3

Class: Industrial Chemicals Pesticides/Herbicides Textile Chemicals/Auxiliary/Dyes Extractables/Leachables Excipients/Additives/Colorants Endogenous Metabolites

Spectral Data

Cyanuric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive HF Orbitrap; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 198
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 12:05:42 PM
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Identificators

InChI InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
InChI Key ZFSLODLOARCGLH-UHFFFAOYSA-N
Canonical SMILES C1(=O)NC(=O)NC(=O)N1
CAS 108805
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Other Names Isocyanuric acid;
Trihydroxycyanidine;
Sym-triazinetriol;
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione;
Tricyanic acid;
2,4,6-Trihydroxy-1,3,5-triazine;
Pseudocyanuric acid;
Cyanurate;
Triazinetrione;
Tricarbimide;
Sym-triazine-2,4,6-triol;
Trihydroxy-1,3,5-triazine;
Triazine-2,4,6-triol;
Celotex;
Syn-triazinetriol;
2,4,6-Trihydroxytriazine;
Syn-triazine-2,4,6-triol

In Other Databases

Wikipedia Cyanuric_acid
HMDb HMDB41861
KEGG C06554
PubChem 7956
ChEBI CHEBI:17696; CHEBI:38028
ChEMBL CHEMBL243087
ChemSpider 7668
ChemIDPlus 000108805; 000752749; 002624171; 003047334; 036452218; 000752589; 027026933; 054554368; 068412806; 068412817