sodium;sulfuric acid;phenoxide

C6H7NaO5S — CID 160963449

IUPACsodium;sulfuric acid;phenoxide
SMILESO=S(=O)(O)O.[Na+].[O-]c1ccccc1
InChIInChI=1S/C6H6O.Na.H2O4S/c7-6-4-2-1-3-5-6;;1-5(2,3)4/h1-5,7H;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeySXHNCAUNUPIMDX-UHFFFAOYSA-M
MW214.17 g/mol
LogP-2.89
Rot. Bonds

About sodium;sulfuric acid;phenoxide

sodium;sulfuric acid;phenoxide (PubChem CID 160963449) has the molecular formula C6H7NaO5S and a molecular weight of 214.17 g/mol. Its IUPAC name is sodium;sulfuric acid;phenoxide.

Molecular Properties

Compound Namesodium;sulfuric acid;phenoxide
PubChem CID160963449
Molecular FormulaC6H7NaO5S
Molecular Weight214.17 g/mol
Exact Mass213.99
IUPAC Namesodium;sulfuric acid;phenoxide
SMILESO=S(=O)(O)O.[Na+].[O-]c1ccccc1
InChIInChI=1S/C6H6O.Na.H2O4S/c7-6-4-2-1-3-5-6;;1-5(2,3)4/h1-5,7H;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeySXHNCAUNUPIMDX-UHFFFAOYSA-M
XLogP-2.89
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-2.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;tetraphenoxide
CID 159915376
dilithium diphenoxide
CID 22167155
disodium diphenoxide
CID 15819849
disodium;hydride;phenoxide
CID 173446882
nickel(2+) diphenoxide
CID 22743825
hafnium diphenoxide
CID 175882420
dipotassium diphenoxide
CID 15819850
samarium(3+) triphenoxide
CID 23131979
tris(barium(2+));dicarbonate;diphenoxide
CID 173391623
tantalum(5+);tetrachloride;phenoxide
CID 102588360
benzene;sulfuric acid
CID 19962519
azulene;sulfuric acid
CID 172847947

Frequently Asked Questions

What is the IUPAC name of sodium;sulfuric acid;phenoxide?
The IUPAC name of sodium;sulfuric acid;phenoxide (CID 160963449) is sodium;sulfuric acid;phenoxide.
What is the SMILES notation for sodium;sulfuric acid;phenoxide?
The canonical SMILES for sodium;sulfuric acid;phenoxide is O=S(=O)(O)O.[Na+].[O-]c1ccccc1.
What is the InChIKey of sodium;sulfuric acid;phenoxide?
The InChIKey is SXHNCAUNUPIMDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.Na.H2O4S/c7-6-4-2-1-3-5-6;;1-5(2,3)4/h1-5,7H;;(H2,1,2,3,4)/q;+1;/p-1.
What are the key properties of sodium;sulfuric acid;phenoxide?
sodium;sulfuric acid;phenoxide has a molecular weight of 214.17 g/mol, XLogP of -2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfuric acid;phenoxide is sourced from PubChem (CID 160963449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).