Zinc phenolsulfonate

C12H10O8S2ZnCAS 127-82-2411.70 g/mol

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O−SOOOHO−SOOOHZn2+
PhenolSulfonic acid

Properties

Molecular formula
C12H10O8S2Zn
Molar mass
411.70 g/mol
Exact mass
409.9109 Da
logP
0.64Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
127-82-2
SMILES
[O-]S(=O)(=O)c1ccc(O)cc1.[O-]S(=O)(=O)c1ccc(O)cc1.[Zn+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • Benzenesulfonic acid, 4-hydroxy-, zinc salt (2:1)
  • Benzenesulfonic acid, p-hydroxy-, zinc salt (2:1)
  • p-Hydroxybenzenesulfonic acid zinc salt
  • Zinc p-phenolsulfonate
  • Phenozin

Work with Zinc phenolsulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Hydroxybenzenesulfonic acid98-67-9Free acid Sodium 4-hydroxybenzenesulfonate825-90-1Salt Potassium p-hydroxybenzenesulfonate30145-40-5Salt Sodium P-phenolsulfonate dihydrate10580-19-5Salt

Similar compounds

Sodium 6-hydroxy-2-naphthalenesulfonate135-76-256 % similar Zinc P-toluenesulfonate hydrate123334-05-455 % similar Sodium 7-hydroxy-2-naphthalenesulfonate135-55-754 % similar 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-954 % similar Potassium 4-bromobenzenesulfonate66788-58-750 % similar Bisphenol S80-09-150 % similar Chrysoine resorcinol547-57-948 % similar Sodium 4-methylbenzenesulfonate12068-03-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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