Tris[μ-[1,4-benzenedicarboxylato(2-)-κO1:κO′1]]-μ4-oxotetrazinc

CAS Registry Number®

255367-66-9

CAS Name

Tris[μ-[1,4-benzenedicarboxylato(2-)-κO1:κO′1]]-μ4-oxotetrazinc

Molecular Formula

C24H12O13Zn4

Cite this Page

Tris[μ-[1,4-benzenedicarboxylato(2-)-κO1:κO′1]]-μ4-oxotetrazinc.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=255367-66-9 (retrieved 2024-12-27) (CAS RN: 255367-66-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    64 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/3C8H6O4.O.4Zn/c3*9-7(10)5-1-2-6(4-3-5)8(11)12;;;;;/h3*1-4H,(H,9,10)(H,11,12);;;;;/q;;;-2;4*+2/p-6

InChIKey

InChIKey=SCFFCUFNAPBOJV-UHFFFAOYSA-H

SMILES

C([O-])(=O)C1=CC=C(C=2[O-][Zn+2]3[O-2]4([Zn+2](O2)O=C([O-][Zn+2]4)C5=CC=C(C([O-])=O)C=C5)[Zn+2][O-]C(=O3)C6=CC=C(C([O-])=O)C=C6)C=C1

Canonical SMILES

O=C([O-])C=1C=CC(=CC1)C2=O[Zn+2]3O=C([O-][Zn+2]4O=C([O-][Zn+2][O-2]34[Zn+2][O-]2)C=5C=CC(=CC5)C(=O)[O-])C=6C=CC(=CC6)C(=O)[O-]

Other Names for this Substance

  • Zinc, tris[μ-[1,4-benzenedicarboxylato(2-)-κO1:κO′1]]-μ4-oxotetra-
  • Zinc, tris[μ-[1,4-benzenedicarboxylato(2-)-κO1:κO1′]]-μ4-oxotetra-
  • Tris[μ-[1,4-benzenedicarboxylato(2-)-κO1:κO′1]]-μ4-oxotetrazinc
  • MOF 5
  • IRMOF 1

View All

Deleted or Replaced CAS Registry Numbers

871205-93-5

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