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Substance Name: 1,3-Benzenedicarboxylic acid, mixed esters with glycerol and linoleic acid
RN: 68953-86-6
InChIKey: KQOIZNZJQKRIRA-JFHYDWJLSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C18-H32-O2.C8-H6-O4.C3-H8-O3

Molecular Weight

  • 538.673
 
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Names and Synonyms

  • 1,3-Benzenedicarboxylic acid, mixed esters with glycerol and linoleic acid

Registry Numbers

CAS Registry Number

  • 68953-86-6

System Generated Number

  • 0068953866

Molecular Formulas

Molecular Formula

  • C18-H32-O2.C8-H6-O4.C3-H8-O3

Molecular Formula Fragments

  • C18-H32-O2
  • C3-H8-O3
  • C8-H6-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H32O2.C8H6O4.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-7(10)5-2-1-3-6(4-5)8(11)12;4-1-3(6)2-5/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1-4H,(H,9,10)(H,11,12);3-6H,1-2H2/b7-6-,10-9-;;

InChIKey

KQOIZNZJQKRIRA-JFHYDWJLSA-N

Smiles

OC(CCCCCCC\C=C/C\C=C/CCCCC)=O.c1(cccc(c1)C(O)=O)C(=O)O.OCC(CO)O