chempirical

Sodium 1,3,6-naphthalenetrisulfonate

C10H5Na3O9S3CAS 5182-30-9434.29 g/mol

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

Properties

Molecular formula
C10H5Na3O9S3
Molar mass
434.29 g/mol
Exact mass
433.8789 Da
logP
-0.56Crippen estimate
Polar surface area
163.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
3

Identifiers

CAS number
5182-30-9
SMILES
[O-]S(=O)(=O)c1ccc2c(c1)cc(S([O-])(=O)=O)cc2S([O-])(=O)=O.[Na+].[Na+].[Na+]
InChIKey
NGWYLXQWBJHCSO-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O9S3.3Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;

Weigh it out

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

Names and synonyms

5 names
  • 1,3,6-Naphthalenetrisulfonic acid, sodium salt (1:3)
  • 1,3,6-Naphthalenetrisulfonic acid, trisodium salt
  • Trisodium 1,3,6-naphthalenetrisulfonate
  • Trisodium naphthalene-1,3,6-trisulphonate
  • Trisodium naphthalene-1,3,6-trisulfonate

Work with Sodium 1,3,6-naphthalenetrisulfonate

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

Disodium 1,6-naphthalenedisulfonate1655-43-271 % similar 4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-767 % similar Disodium 2,6-naphthalenedisulfonate1655-45-465 % similar Disodium 2,7-naphthalenedisulfonate1655-35-263 % similar Tetrasodium 1,3,6,8-pyrenetetrasulfonate59572-10-058 % similar Sodium 2-naphthalenesulfonate532-02-557 % similar Nitroso R525-05-357 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-257 % similar

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

Elsewhere

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