copper;zinc;tetrabenzoate

C28H20CuO8Zn — CID 174787917

IUPACcopper;zinc;tetrabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Zn+2]
InChIInChI=1S/4C7H6O2.Cu.Zn/c4*8-7(9)6-4-2-1-3-5-6;;/h4*1-5H,(H,8,9);;/q;;;;2*+2/p-4
InChIKeyWARJZBDCCILGLB-UHFFFAOYSA-J
MW613.40 g/mol
LogP0.20
Rot. Bonds4

About copper;zinc;tetrabenzoate

copper;zinc;tetrabenzoate (PubChem CID 174787917) has the molecular formula C28H20CuO8Zn and a molecular weight of 613.40 g/mol. Its IUPAC name is copper;zinc;tetrabenzoate.

Molecular Properties

Compound Namecopper;zinc;tetrabenzoate
PubChem CID174787917
Molecular FormulaC28H20CuO8Zn
Molecular Weight613.40 g/mol
Exact Mass610.97
IUPAC Namecopper;zinc;tetrabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Zn+2]
InChIInChI=1S/4C7H6O2.Cu.Zn/c4*8-7(9)6-4-2-1-3-5-6;;/h4*1-5H,(H,8,9);;/q;;;;2*+2/p-4
InChIKeyWARJZBDCCILGLB-UHFFFAOYSA-J
XLogP0.20
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.40
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dizinc;benzoate;hydroxide
CID 157317749
barium(2+) benzoate
CID 22608800
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
cadmium(2+) benzoate
CID 22051861
platinum(4+) tetrabenzoate
CID 173022810
azanium benzoate
CID 15830
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421
calcium dibenzoate
CID 90470399

Frequently Asked Questions

What is the IUPAC name of copper;zinc;tetrabenzoate?
The IUPAC name of copper;zinc;tetrabenzoate (CID 174787917) is copper;zinc;tetrabenzoate.
What is the SMILES notation for copper;zinc;tetrabenzoate?
The canonical SMILES for copper;zinc;tetrabenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].[Zn+2].
What is the InChIKey of copper;zinc;tetrabenzoate?
The InChIKey is WARJZBDCCILGLB-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H6O2.Cu.Zn/c4*8-7(9)6-4-2-1-3-5-6;;/h4*1-5H,(H,8,9);;/q;;;;2*+2/p-4.
What are the key properties of copper;zinc;tetrabenzoate?
copper;zinc;tetrabenzoate has a molecular weight of 613.40 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;zinc;tetrabenzoate is sourced from PubChem (CID 174787917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).