Triaqua[μ-[1,3,5-benzenetricarboxylato(3-)-κO1:κO′1]][μ3-[1,3,5-benzenetricarboxylato(3-)-κO1:κO3:κO′1]]tricopper

CAS Registry Number®

222404-02-6

CAS Name

Triaqua[μ-[1,3,5-benzenetricarboxylato(3-)-κO1:κO′1]][μ3-[1,3,5-benzenetricarboxylato(3-)-κO1:κO3:κO′1]]tricopper

Molecular Formula

C18H12Cu3O15

Cite this Page

Triaqua[μ-[1,3,5-benzenetricarboxylato(3-)-κO1:κO′1]][μ3-[1,3,5-benzenetricarboxylato(3-)-κO1:κO3:κO′1]]tricopper.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=222404-02-6 (retrieved 2025-01-30) (CAS RN: 222404-02-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Density (1)

    0.879 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/2C9H6O6.3Cu.3H2O/c2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;;;;;/h2*1-3H,(H,10,11)(H,12,13)(H,14,15);;;;3*1H2/q;;3*+2;;;/p-6

InChIKey

InChIKey=WFVOGDIGRAGOPE-UHFFFAOYSA-H

SMILES

C([O-][Cu+2][OH2])(=O)C=1C=C(C=C(C([O-])=O)C1)C=2[O-][Cu+2]([OH2])O=C([O-][Cu+2]([OH2])O2)C3=CC(C([O-])=O)=CC(C([O-])=O)=C3

Canonical SMILES

O=C([O-])C=1C=C(C=C(C1)C2=O[Cu+2]([O-]C(=O[Cu+2]([O-]2)[OH2])C=3C=C(C=C(C3)C(=O)[O-][Cu+2][OH2])C(=O)[O-])[OH2])C(=O)[O-]

Other Names for this Substance

  • Copper, triaqua[μ-[1,3,5-benzenetricarboxylato(3-)-κO1:κO′1]][μ3-[1,3,5-benzenetricarboxylato(3-)-κO1:κO3:κO′1]]tri-
  • Copper, triaqua[μ-[1,3,5-benzenetricarboxylato(3-)-κO1:κO1′]][μ3-[1,3,5-benzenetricarboxylato(3-)-κO1:κO1′:κO3]]tri-
  • Triaqua[μ-[1,3,5-benzenetricarboxylato(3-)-κO1:κO′1]][μ3-[1,3,5-benzenetricarboxylato(3-)-κO1:κO3:κO′1]]tricopper
  • HKUST 1
  • Basolite C 300

View All

Deleted or Replaced CAS Registry Numbers

2101530-25-8, 2415247-67-3