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
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CAS Name
Triaqua[μ-[1,3,5-benzenetricarboxylato(3-)-κO1:κO′1]][μ3-[1,3,5-benzenetricarboxylato(3-)-κO1:κO3:κO′1]]tricopperMolecular Formula
C18H12Cu3O15Cite 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/ChemicalDetail.aspx?ref=222404-02-6 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
2101530-25-8, 2415247-67-3
