Endothal

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Systematic / IUPAC Name: 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

ID: Reference3000

Other Names: 3,6-Endooxohexahydrophthalic acid;
3,6-Endo-oxyphthalic acid hexahydro-;
3,6-Endooxyphthalic acid, hexahydro-;
3,6-Endoxohexahydrophthalic acid;
Aquathol ; more

Formula: C8H10O5

Class: Pesticides/Herbicides

Spectral Data

Endothal 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 72
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 9/7/2015 12:41:51 PM
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Identificators

InChI InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)
InChI Key GXEKYRXVRROBEV-UHFFFAOYSA-N
Canonical SMILES C1CC2C(C(C1O2)C(=O)O)C(=O)O
CAS 145733
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Other Names 3,6-Endooxohexahydrophthalic acid;
3,6-Endo-oxyphthalic acid hexahydro-;
3,6-Endooxyphthalic acid, hexahydro-;
3,6-Endoxohexahydrophthalic acid;
Aquathol;
Aquothol;
Endothall;
Herbon pennout;
Hydout;
Hydrothal ;
Hydrothol;
Niagrathal;
Phthalic acid, hexahydro-3,6-endo-oxy-;
tri-Endothal;
1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-;
1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-;
3,6-Epoxy-cyclohexan-1,2-dicarboxylic acid;
3,6-Epoxycyclohexane-1,2-dicarboxylic acid

In Other Databases

PubChem 3225
ChEMBL CHEMBL8080
Wikipedia Endothall
ChemSpider 3112
ChemIDPlus 000129679; 000145733; 008015381; 035493904; 002164070; 028874466; 073806196; 187819790