2-{[[(Carboxymethyl)thio](3,4,5-trimethoxyphenyl)methyl]thio}acetic acid

enlarge

Systematic / IUPAC Name: 2,2'-{[(3,4,5-Trimethoxyphenyl)methylene]disulfanediyl}diacetic acid

ID: Reference4265

Other Names: Acetic acid, 2,2'-{[(3,4,5-trimethoxyphenyl)methylene]bis(thio)}bis-

Formula: C14H18O7S2

Spectral Data

2-{[[(Carboxymethyl)thio](3,4,5-trimethoxyphenyl)methyl]thio}acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/17/2016 12:24:51 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H18O7S2/c1-19-9-4-8(5-10(20-2)13(9)21-3)14(22-6-11(15)16)23-7-12(17)18/h4-5,14H,6-7H2,1-3H3,(H,15,16)(H,17,18)
InChI Key JRTUBSRGQBERQQ-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=CC(=C1OC)OC)C(SCC(=O)O)SCC(=O)O
CAS
Splash
Other Names Acetic acid, 2,2'-{[(3,4,5-trimethoxyphenyl)methylene]bis(thio)}bis-

In Other Databases

ChemSpider 2075353
PubChem 2796495