2-{[1-[(Carboxymethyl)thio]-1-(3-nitrophenyl)ethyl]thio}acetic acid

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Systematic / IUPAC Name: 2,2'-{[1-(3-Nitrophenyl)-1,1-ethanediyl]disulfanediyl}diacetic acid

ID: Reference3633

Other Names: Acetic acid, 2,2'-{[1-(3-nitrophenyl)ethylidene]bis(thio)}bis-

Formula: C12H13NO6S2

Spectral Data

2-{[1-[(Carboxymethyl)thio]-1-(3-nitrophenyl)ethyl]thio}acetic 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 132
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 1/18/2016 11:08:42 AM
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Identificators

InChI InChI=1S/C12H13NO6S2/c1-12(20-6-10(14)15,21-7-11(16)17)8-3-2-4-9(5-8)13(18)19/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)
InChI Key IWFUMHPLNLFXQN-UHFFFAOYSA-N
Canonical SMILES CC(C1=CC(=CC=C1)[N+](=O)[O-])(SCC(=O)O)SCC(=O)O
CAS
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Other Names Acetic acid, 2,2'-{[1-(3-nitrophenyl)ethylidene]bis(thio)}bis-

In Other Databases

ChemSpider 2075451
PubChem 2796604