chempirical

Disodium 1,6-naphthalenedisulfonate

C10H6Na2O6S2CAS 1655-43-2332.25 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
1655-43-2
SMILES
[O-]S(=O)(=O)c1ccc2c(cccc2S([O-])(=O)=O)c1.[Na+].[Na+]
InChIKey
HKZOFWPBWQFQJG-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O6S2.2Na/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;

Weigh it out

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

Names and synonyms

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

Work with Disodium 1,6-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 1,3,6-naphthalenetrisulfonate5182-30-971 % similar Sodium 1-naphthalenesulfonate130-14-368 % similar Sodium 2-naphthalenesulfonate532-02-563 % similar Disodium m-benzenedisulfonate831-59-458 % similar 4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-755 % similar Formaldehyde-β-naphthalenesulfonic acid polymer sodium salt36290-04-755 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-352 % similar Nitroso R525-05-351 % 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 2,6-naphthalenedisulfonate1655-45-4

Elsewhere

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