Disodium m-benzenedisulfonate

C6H4Na2O6S2CAS 831-59-4282.19 g/mol

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O−SOOSO−OONa+Na+
Sulfonic acid

Properties

Molecular formula
C6H4Na2O6S2
Molar mass
282.19 g/mol
Exact mass
281.9245 Da
logP
-0.58Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

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
831-59-4
SMILES
[O-]S(=O)(=O)c1cccc(S([O-])(=O)=O)c1.[Na+].[Na+]
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
  • 1,3-Benzenedisulfonic acid, disodium salt
  • 1,3-Benzenedisulfonic acid, sodium salt (1:2)
  • m-Benzenedisulfonic acid, disodium salt
  • Disodium 1,3-benzenedisulfonate
  • Disodium benzene-1,3-disulfonic acid

Work with Disodium m-benzenedisulfonate

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

Similar compounds

Sodium m-aminobenzenesulfonate1126-34-771 % similar TPPTS63995-70-071 % similar Sodium benzenesulfonate515-42-471 % similar Disodium 2,6-naphthalenedisulfonate1655-45-465 % similar Disodium 2,7-naphthalenedisulfonate1655-35-263 % similar Nitrol S127-68-463 % similar Sodium 2-naphthalenesulfonate532-02-562 % similar Potassium diphenyl sulfone-3-sulfonate63316-43-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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