chempirical

Sodium 2-formylbenzenesulfonate

C7H5NaO4SCAS 1008-72-6208.16 g/mol

Open in Covalent MOL file
O−SOOONa+
AldehydeSulfonic acid

Properties

Molecular formula
C7H5NaO4S
Molar mass
208.16 g/mol
Exact mass
207.9806 Da
logP
0.36Crippen estimate
Polar surface area
71.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
1008-72-6
SMILES
[O-]S(=O)(=O)c1ccccc1C=O.[Na+]
InChIKey
IQXNHMVROFUCTR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O4S.Na/c8-5-6-3-1-2-4-7(6)12(9,10)11;/h1-5H,(H,9,10,11);

Weigh it out

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

Names and synonyms

12 names
  • Benzenesulfonic acid, 2-formyl-, sodium salt (1:1)
  • Benzenesulfonic acid, o-formyl-, sodium salt
  • Benzenesulfonic acid, 2-formyl-, sodium salt
  • Benzaldehyde-o-sulfonic acid sodium salt
  • o-Formylbenzenesulfonic acid sodium salt
  • 2-Sulfobenzaldehyde, sodium salt
  • Sodium o-formylbenzenesulfonate
  • Sodium o-benzaldehyde sulfonate
  • Sodium benzaldehyde-2-sulfonate
  • Benzaldehyde-2-sulfonic acid sodium salt
  • 2-Formylbenzenesulfonic acid sodium salt
  • Sodium 2-sulfobenzaldehyde

Work with Sodium 2-formylbenzenesulfonate

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 4-formyl-1,3-benzenedisulfonate33513-44-963 % similar Tinopal cbs27344-41-859 % similar Disodium 1,5-naphthalenedisulfonate1655-29-453 % similar Sodium O-phenolsulfonate1300-51-253 % similar Sodium 1-naphthalenesulfonate130-14-351 % similar Sodium benzenesulfonate515-42-447 % similar Sodium 5-formyl-2-furansulfonate31795-44-545 % similar Sodium anthraquinone-1-sulfonate128-56-344 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook