Chlorendic acid
Chlorendic acid Structure
Systematic / IUPAC Name: 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
ID: Reference2993
Other Names:
1,4,5,6,7,7-Hexachlorbicyclo[2.2.1]hept-5-en-2,3-dicarbons;
HET acid;
1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid ;
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid;
1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-ene-2,3-dicarboxylic acid
; more
Formula: C9H4Cl6O4
Class: Extractables/Leachables Textile Chemicals/Auxiliary/Dyes
Spectral Data
Chlorendic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 116 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; APCI |
| Analyzers | FT |
| Last Modification | 3/29/2018 8:22:23 AM |
Identificators
| InChI | InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19) |
| InChI Key | DJKGDNKYTKCJKD-UHFFFAOYSA-N |
| Canonical SMILES | C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O |
| CAS | 115286 |
| Splash | |
| Other Names |
1,4,5,6,7,7-Hexachlorbicyclo[2.2.1]hept-5-en-2,3-dicarbons; HET acid; 1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid ; 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid; 1,4,5,6,7,7-Hexachloro-8,9,10-trinorborn-5-ene-2,3-dicarboxylic acid; 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]-5-heptene-2,3-dicarboxylic acid ; 2H,3H-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid; 5-Norbornene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-; Bicyclo[2.2.1]-5-heptene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-; Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-; Hexachloroendomethylenetetrahydrophthalic acid |
In Other Databases
| ChEBI | CHEBI:76603 |
| Wikipedia | Chlorendic acid |
| KEGG | C19204 |
| PubChem | 8266 |
| ChemIDPlus | 000115286 |
| ChemSpider | 7968 |