dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate

C6H4Li2O8S2 — CID 3040231

IUPACdilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate
SMILESO=S(=O)([O-])c1cc(O)ccc1S(=O)(=O)O[O-].[Li+].[Li+]
InChIInChI=1S/C6H6O8S2.2Li/c7-4-1-2-5(16(12,13)14-8)6(3-4)15(9,10)11;;/h1-3,7-8H,(H,9,10,11);;/q;2*+1/p-2
InChIKeyOPOXJBKGCJYPJW-UHFFFAOYSA-L
MW282.11 g/mol
LogP-7.72
Rot. Bonds3

About dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate

dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate (PubChem CID 3040231) has the molecular formula C6H4Li2O8S2 and a molecular weight of 282.11 g/mol. Its IUPAC name is dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate.

Molecular Properties

Compound Namedilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate
PubChem CID3040231
Molecular FormulaC6H4Li2O8S2
Molecular Weight282.11 g/mol
Exact Mass281.97
IUPAC Namedilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate
SMILESO=S(=O)([O-])c1cc(O)ccc1S(=O)(=O)O[O-].[Li+].[Li+]
InChIInChI=1S/C6H6O8S2.2Li/c7-4-1-2-5(16(12,13)14-8)6(3-4)15(9,10)11;;/h1-3,7-8H,(H,9,10,11);;/q;2*+1/p-2
InChIKeyOPOXJBKGCJYPJW-UHFFFAOYSA-L
XLogP-7.72
TPSA143.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 5-7.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxybenzenesulfonic acid
CID 4765
Zinc Phenolsulfonate
CID 31391
Sodium 4-hydroxybenzenesulfonate
CID 4379756
Phenoldisulfonic acid
CID 66787
Sodium P-phenolsulfonate dihydrate
CID 23666329
4-Sulfophenol
CID 3010347
3,4-Dihydroxybenzenesulfonic acid
CID 189003
4-Hydroxybenzene-1-sulfonyl fluoride
CID 308444
4-Hydroxybenzene-1-sulfonyl chloride
CID 11424093
Potassium p-hydroxybenzenesulphonate
CID 23676698
Ammonium p-phenolsulfonate
CID 3083898
3,4-Dihydroxybenzenesulfonate
CID 6857466

Frequently Asked Questions

What is the IUPAC name of dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate?
The IUPAC name of dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate (CID 3040231) is dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate.
What is the SMILES notation for dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate?
The canonical SMILES for dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate is O=S(=O)([O-])c1cc(O)ccc1S(=O)(=O)O[O-].[Li+].[Li+].
What is the InChIKey of dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate?
The InChIKey is OPOXJBKGCJYPJW-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O8S2.2Li/c7-4-1-2-5(16(12,13)14-8)6(3-4)15(9,10)11;;/h1-3,7-8H,(H,9,10,11);;/q;2*+1/p-2.
What are the key properties of dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate?
dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate has a molecular weight of 282.11 g/mol, XLogP of -7.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;5-hydroxy-2-oxidooxysulfonylbenzenesulfonate is sourced from PubChem (CID 3040231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).