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Substance Name: Butanedioic acid, 2-sulfo-, mixed esters with 2-ethyl-1-hexanol, iso-Pr alc. and propylene glycol
RN: 68876-95-9
InChIKey: CISRLJJCFZVQLQ-UHFFFAOYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C8-H18-O.C4-H6-O7-S.C3-H8-O2.C3-H8-O

Molecular Weight

  • 480.568
 
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Names and Synonyms

Synonym

  • EINECS 272-536-5

Systematic Names

  • Butanedioic acid, 2-sulfo-, mixed esters with 2-ethyl-1-hexanol, iso-Pr alc. and propylene glycol
  • Butanedioic acid, sulfo-, mixed esters with 2-ethyl-1-hexanol, iso-Pr alc. and propylene glycol

Registry Numbers

CAS Registry Number

  • 68876-95-9

System Generated Number

  • 0068876959

Molecular Formulas

Molecular Formula

  • C8-H18-O.C4-H6-O7-S.C3-H8-O2.C3-H8-O

Molecular Formula Fragments

  • C3-H8-O
  • C3-H8-O2
  • C4-H6-O7-S
  • C8-H18-O
  • COMPONENT

Structure Descriptors

InChI

1S/C8H18O2.C4H6O7S.C3H8O2.C3H8O/c1-3-5-6-7(4-2)8(9)10;5-3(6)1-2(4(7)8)12(9,10)11;1-3(5)2-4;1-3(2)4/h7-10H,3-6H2,1-2H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);3-5H,2H2,1H3;3-4H,1-2H3

InChIKey

CISRLJJCFZVQLQ-UHFFFAOYSA-N

Smiles

O=C(O)C[C@@H](C(=O)O)S(=O)(=O)O.C([C@@H](C)O)O.C([C@@H](CCCC)CC)(O)O.CC(C)O