disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid

C6H8Cr2Na2O11S — CID 161207312

IUPACdisodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid
SMILESO=S(=O)(O)O.O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-].[Na+].[Na+].c1ccccc1
InChIInChI=1S/C6H6.2Cr.2Na.H2O4S.7O/c1-2-4-6-5-3-1;;;;;1-5(2,3)4;;;;;;;/h1-6H;;;;;(H2,1,2,3,4);;;;;;;/q;;;2*+1;;;;;;;2*-1
InChIKeyUVTVIKWAXXORAG-UHFFFAOYSA-N
MW438.16 g/mol
LogP-7.88
Rot. Bonds2

About disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid

disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid (PubChem CID 161207312) has the molecular formula C6H8Cr2Na2O11S and a molecular weight of 438.16 g/mol. Its IUPAC name is disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid.

Molecular Properties

Compound Namedisodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid
PubChem CID161207312
Molecular FormulaC6H8Cr2Na2O11S
Molecular Weight438.16 g/mol
Exact Mass437.84
IUPAC Namedisodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid
SMILESO=S(=O)(O)O.O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-].[Na+].[Na+].c1ccccc1
InChIInChI=1S/C6H6.2Cr.2Na.H2O4S.7O/c1-2-4-6-5-3-1;;;;;1-5(2,3)4;;;;;;;/h1-6H;;;;;(H2,1,2,3,4);;;;;;;/q;;;2*+1;;;;;;;2*-1
InChIKeyUVTVIKWAXXORAG-UHFFFAOYSA-N
XLogP-7.88
TPSA198.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.16
LogP ≤ 5-7.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium
CID 163199057
calcium;dioxido(dioxo)chromium;sulfuric acid
CID 172718284
tripotassium;decakis(oxido-(oxido(dioxo)chromio)oxy-dioxochromium)
CID 173435904
benzene;sulfuric acid
CID 19962519
benzene;sulfuric acid
CID 160829970
zinc;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;trihydrate
CID 91886631
sodium;dioxido(dioxo)chromium;nickel(2+)
CID 159931671
calcium;potassium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;chloride
CID 172812156
sodium;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;sulfuric acid;fluoride
CID 173135445
sodium;hydride;hydrogen peroxide;sulfuric acid
CID 173021653
sodium;sulfuric acid;hydroxide;hydrochloride
CID 159136854
sodium;sulfuric acid;phenoxide
CID 160963449

Frequently Asked Questions

What is the IUPAC name of disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid?
The IUPAC name of disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid (CID 161207312) is disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid.
What is the SMILES notation for disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid?
The canonical SMILES for disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid is O=S(=O)(O)O.O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-].[Na+].[Na+].c1ccccc1.
What is the InChIKey of disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid?
The InChIKey is UVTVIKWAXXORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2Cr.2Na.H2O4S.7O/c1-2-4-6-5-3-1;;;;;1-5(2,3)4;;;;;;;/h1-6H;;;;;(H2,1,2,3,4);;;;;;;/q;;;2*+1;;;;;;;2*-1.
What are the key properties of disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid?
disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid has a molecular weight of 438.16 g/mol, XLogP of -7.88, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;benzene;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;sulfuric acid is sourced from PubChem (CID 161207312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).