What is the molecular formula of 2-(4,5-Dibromo-3,6-dihydroxyxanthen-9-yl)benzoic acid, zirconium salt?
The molecular formula is C80H44Br8O20Zr.
When was this compound created and last modified?
It was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of this compound?
The IUPAC name is 2-(4,5-dibromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoate; zirconium(4+).
What is the Canonical SMILES of this compound?
The Canonical SMILES is C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)Br)OC4=C2C=CC(=C4Br)O)C(=O)[O-].C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)Br)OC4=C2C=CC(=C4Br)O)C(=O)[O-].C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)Br)OC4=C2C=CC(=C4Br)O)C(=O)[O-].C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)Br)OC4=C2C=CC(=C4Br)O)C(=O)[O-].[Zr+4].
What is the molecular weight of this compound?
The molecular weight is 2055.6 g/mol.
How many Hydrogen Bond Donor Counts are in this compound?
There are 8 Hydrogen Bond Donor Counts.
How many Hydrogen Bond Acceptor Counts are in this compound?
There are 20 Hydrogen Bond Acceptor Counts.
What is the Exact Mass of this compound?
The Exact Mass is 2053.48580 g/mol.
How many rotatable bond counts are in this compound?
There are 4 rotatable bond counts.
What is the Heavy Atom Count of this compound?
The Heavy Atom Count is 109.
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