chempirical

Disodium 2,6-naphthalenedisulfonate

C10H6Na2O6S2CAS 1655-45-4332.25 g/mol

Open in Covalent MOL file
O−SOOSO−OONa+Na+
Sulfonic acid

Properties

Molecular formula
C10H6Na2O6S2
Molar mass
332.25 g/mol
Exact mass
331.9401 Da
logP
0.57Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
1655-45-4
SMILES
[O-]S(=O)(=O)c1ccc2cc(S([O-])(=O)=O)ccc2c1.[Na+].[Na+]
InChIKey
IBIDRGYZQLRDPZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9;;/h1-6H,(H,11,12,13)(H,14,15,16);;

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 2,6-Naphthalenedisulfonic acid, sodium salt (1:2)
  • 2,6-Naphthalenedisulfonic acid, disodium salt
  • Sodium naphthalene-2,6-disulfonate

Work with Disodium 2,6-naphthalenedisulfonate

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 2-naphthalenesulfonate532-02-585 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-576 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-276 % similar Formaldehyde-β-naphthalenesulfonic acid polymer sodium salt36290-04-771 % similar Sodium 7-hydroxy-2-naphthalenesulfonate135-55-768 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-367 % similar Disodium m-benzenedisulfonate831-59-465 % similar Sodium 1,3,6-naphthalenetrisulfonate5182-30-965 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Disodium 1,5-naphthalenedisulfonate1655-29-4 Disodium 2,7-naphthalenedisulfonate1655-35-2 Disodium 1,6-naphthalenedisulfonate1655-43-2

Elsewhere

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