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Substance Name: 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)
RN: 67952-97-0
InChIKey: AOBDHTCOQZZDTN-UHFFFAOYSA-K

Molecular Formula

  • C21-H32-O4.1/3Al

Molecular Weight

  • 1069.4
 
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Names and Synonyms

Synonym

  • EINECS 267-934-0

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)
  • 1,2-Benzenedicarboxylic acid, monotridecyl ester, aluminum salt
  • Aluminium tridecyl phthalate (1:3:3)

Registry Numbers

CAS Registry Number

  • 67952-97-0

System Generated Number

  • 0067952970

Molecular Formulas

Molecular Formula

  • C21-H32-O4.1/3Al

Molecular Formula Fragments

  • Al
  • C21-H32-O4
  • COMPONENT

Structure Descriptors

InChI

1S/3C21H32O4.Al/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-25-21(24)19-16-13-12-15-18(19)20(22)23;/h3*12-13,15-16H,2-11,14,17H2,1H3,(H,22,23);/q;;;+3/p-3

InChIKey

AOBDHTCOQZZDTN-UHFFFAOYSA-K

Smiles

[O-]C(=O)c1c(C(=O)OCCCCCCCCCCCCC)cccc1.[Al+3].[O-]C(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC.[O-]C(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC