5,5'-Dithiobis(2-nitrobenzoic acid)

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Systematic / IUPAC Name: 3,3'-Disulfanediylbis(6-nitrobenzoic acid)

ID: Reference1748

Other Names: 5-[(3-Carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid;
Bis(3-carboxy-4-nitrophenyl) disulfide;
Dithiobisnitrobenzoic acid

Formula: C14H8N2O8S2

Spectral Data

5,5'-Dithiobis(2-nitrobenzoic 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 73
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 4:56:56 PM
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Identificators

InChI InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChI Key KIUMMUBSPKGMOY-UHFFFAOYSA-N
Canonical SMILES C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]
CAS 69783
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Other Names 5-[(3-Carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid;
Bis(3-carboxy-4-nitrophenyl) disulfide;
Dithiobisnitrobenzoic acid

In Other Databases

ChEMBL CHEMBL395814
PubChem 6254
Wikipedia Ellman's reagent
ChemSpider 6018
ChemIDPlus 000069783