strontium;barium(2+);phthalate;zirconium(4+)

C32H16BaO16SrZr — CID 174634619

IUPACstrontium;barium(2+);phthalate;zirconium(4+)
SMILESO=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].[Ba+2].[Sr+2].[Zr+4]
InChIInChI=1S/4C8H6O4.Ba.Sr.Zr/c4*9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h4*1-4H,(H,9,10)(H,11,12);;;/q;;;;2*+2;+4/p-8
InChIKeyUCSIMLSEUAZVOC-UHFFFAOYSA-F
MW972.64 g/mol
LogP-7.11
Rot. Bonds8

About strontium;barium(2+);phthalate;zirconium(4+)

strontium;barium(2+);phthalate;zirconium(4+) (PubChem CID 174634619) has the molecular formula C32H16BaO16SrZr and a molecular weight of 972.64 g/mol. Its IUPAC name is strontium;barium(2+);phthalate;zirconium(4+).

Molecular Properties

Compound Namestrontium;barium(2+);phthalate;zirconium(4+)
PubChem CID174634619
Molecular FormulaC32H16BaO16SrZr
Molecular Weight972.64 g/mol
Exact Mass971.76
IUPAC Namestrontium;barium(2+);phthalate;zirconium(4+)
SMILESO=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].[Ba+2].[Sr+2].[Zr+4]
InChIInChI=1S/4C8H6O4.Ba.Sr.Zr/c4*9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h4*1-4H,(H,9,10)(H,11,12);;;/q;;;;2*+2;+4/p-8
InChIKeyUCSIMLSEUAZVOC-UHFFFAOYSA-F
XLogP-7.11
TPSA321.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.64
LogP ≤ 5-7.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of strontium;barium(2+);phthalate;zirconium(4+)?
The IUPAC name of strontium;barium(2+);phthalate;zirconium(4+) (CID 174634619) is strontium;barium(2+);phthalate;zirconium(4+).
What is the SMILES notation for strontium;barium(2+);phthalate;zirconium(4+)?
The canonical SMILES for strontium;barium(2+);phthalate;zirconium(4+) is O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-].[Ba+2].[Sr+2].[Zr+4].
What is the InChIKey of strontium;barium(2+);phthalate;zirconium(4+)?
The InChIKey is UCSIMLSEUAZVOC-UHFFFAOYSA-F. The full InChI is InChI=1S/4C8H6O4.Ba.Sr.Zr/c4*9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h4*1-4H,(H,9,10)(H,11,12);;;/q;;;;2*+2;+4/p-8.
What are the key properties of strontium;barium(2+);phthalate;zirconium(4+)?
strontium;barium(2+);phthalate;zirconium(4+) has a molecular weight of 972.64 g/mol, XLogP of -7.11, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;barium(2+);phthalate;zirconium(4+) is sourced from PubChem (CID 174634619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).