sodium;anthracene-9,10-dione;hydride;sulfuric acid

C14H11NaO6S — CID 173166702

IUPACsodium;anthracene-9,10-dione;hydride;sulfuric acid
SMILESO=C1c2ccccc2C(=O)c2ccccc21.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H8O2.Na.H2O4S.H/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;;1-5(2,3)4;/h1-8H;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyZBXMYNYWUIRCCG-UHFFFAOYSA-N
MW330.29 g/mol
LogP-1.07
Rot. Bonds

About sodium;anthracene-9,10-dione;hydride;sulfuric acid

sodium;anthracene-9,10-dione;hydride;sulfuric acid (PubChem CID 173166702) has the molecular formula C14H11NaO6S and a molecular weight of 330.29 g/mol. Its IUPAC name is sodium;anthracene-9,10-dione;hydride;sulfuric acid.

Molecular Properties

Compound Namesodium;anthracene-9,10-dione;hydride;sulfuric acid
PubChem CID173166702
Molecular FormulaC14H11NaO6S
Molecular Weight330.29 g/mol
Exact Mass330.02
IUPAC Namesodium;anthracene-9,10-dione;hydride;sulfuric acid
SMILESO=C1c2ccccc2C(=O)c2ccccc21.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H8O2.Na.H2O4S.H/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;;1-5(2,3)4;/h1-8H;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyZBXMYNYWUIRCCG-UHFFFAOYSA-N
XLogP-1.07
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;anthracene-9,10-dione;hydride;sulfuric acid?
The IUPAC name of sodium;anthracene-9,10-dione;hydride;sulfuric acid (CID 173166702) is sodium;anthracene-9,10-dione;hydride;sulfuric acid.
What is the SMILES notation for sodium;anthracene-9,10-dione;hydride;sulfuric acid?
The canonical SMILES for sodium;anthracene-9,10-dione;hydride;sulfuric acid is O=C1c2ccccc2C(=O)c2ccccc21.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;anthracene-9,10-dione;hydride;sulfuric acid?
The InChIKey is ZBXMYNYWUIRCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.Na.H2O4S.H/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;;1-5(2,3)4;/h1-8H;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;anthracene-9,10-dione;hydride;sulfuric acid?
sodium;anthracene-9,10-dione;hydride;sulfuric acid has a molecular weight of 330.29 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;anthracene-9,10-dione;hydride;sulfuric acid is sourced from PubChem (CID 173166702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).