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Substance Name: 1,2,4-Benzenetricarboxylic acid, mixed esters with benzoic acid, diethylene glycol, neopentyl glycol, phthalic acid and 1-tridecanol
RN: 68954-03-0
InChIKey: XCSQYURMWBQNQB-UHFFFAOYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C13-H28-O.C9-H6-O6.C8-H6-O4.C7-H6-O2.C5-H12-O2.C4-H10-O3

Molecular Weight

  • 909.025
 
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Names and Synonyms

  • 1,2,4-Benzenetricarboxylic acid, mixed esters with benzoic acid, diethylene glycol, neopentyl glycol, phthalic acid and 1-tridecanol

Registry Numbers

CAS Registry Number

  • 68954-03-0

System Generated Number

  • 0068954030

Molecular Formulas

Molecular Formula

  • C13-H28-O.C9-H6-O6.C8-H6-O4.C7-H6-O2.C5-H12-O2.C4-H10-O3

Molecular Formula Fragments

  • C13-H28-O
  • C4-H10-O3
  • C5-H12-O2
  • C7-H6-O2
  • C8-H6-O4
  • C9-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C13H28O.C9H6O6.C8H6O4.C7H6O2.C5H12O2.C4H10O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;9-7(10)5-3-1-2-4-6(5)8(11)12;8-7(9)6-4-2-1-3-5-6;1-5(2,3-6)4-7;5-1-3-7-4-2-6/h14H,2-13H2,1H3;1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H,(H,9,10)(H,11,12);1-5H,(H,8,9);6-7H,3-4H2,1-2H3;5-6H,1-4H2

InChIKey

XCSQYURMWBQNQB-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1)C(=O)O)C(=O)O)C(=O)O.c1ccccc1C(O)=O.C(COCCO)O.c1cccc(c1C(O)=O)C(=O)O.OCCCCCCCCCCCCC.OCC(CO)(C)C