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Substance Name: Propanoic acid, 3-((((2-carboxyethyl)thio)phenylmethyl)thio)-, 1-(2-ethylhexyl) ester
RN: 68109-84-2
InChIKey: UTNCBRGYRRXBLM-UHFFFAOYSA-N

Molecular Formula

  • C21-H32-O4-S2

Molecular Weight

  • 412.612
 
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Names and Synonyms

Synonyms

  • 1-(2-Ethylhexyl) 3-((((2-carboxyethyl)thio)phenylmethyl)thio)propionate
  • Bis(carboxyethane-2-thio)phenyl methylene, mono(2-ethylhexyl) ester
  • EINECS 268-495-8
  • Propanoic acid, 3,3'-((phenylmethylene)bis(thio))bis-, mono(2-ethylhexyl) ester

Systematic Names

  • 2-Ethylhexyl hydrogen 3,3'-((phenylmethylene)bis(thio))dipropionate
  • Propanoic acid, 3-((((2-carboxyethyl)thio)phenylmethyl)thio)-, 1-(2-ethylhexyl) ester

Registry Numbers

CAS Registry Number

  • 68109-84-2

System Generated Number

  • 0068109842

Structure Descriptors

InChI

1S/C21H32O4S2/c1-3-5-9-17(4-2)16-25-20(24)13-15-27-21(26-14-12-19(22)23)18-10-7-6-8-11-18/h6-8,10-11,17,21H,3-5,9,12-16H2,1-2H3,(H,22,23)

InChIKey

UTNCBRGYRRXBLM-UHFFFAOYSA-N

Smiles

O=C(OC[C@@H](CCCC)CC)CCS[C@@H](SCCC(=O)O)c1ccccc1