chempirical

Sodium O-phenolsulfonate

C6H5NaO4SCAS 1300-51-2196.15 g/mol

Open in Covalent MOL file
OHSOOO−Na+
PhenolSulfonic acid

Properties

Molecular formula
C6H5NaO4S
Molar mass
196.15 g/mol
Exact mass
195.9806 Da
logP
-2.70Crippen estimate
Polar surface area
77.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
1300-51-2
SMILES
C1=CC=C(C(=C1)O)S(=O)(=O)[O-].[Na+]
InChIKey
BLXAGSNYHSQSRC-UHFFFAOYSA-M
InChI
InChI=1S/C6H6O4S.Na/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1

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Names and synonyms

5 names
  • Sodium phenolsulfonate
  • Benzenesulfonic acid, hydroxy-, sodium salt (1:1)
  • Benzenesulfonic acid, hydroxy-, monosodium salt
  • Sodiumsulfocarbolate
  • Sodium hydroxybenzenesulfonate

Work with Sodium O-phenolsulfonate

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 5-hydroxy-1-naphthalenesulfonate5419-77-269 % similar Sodium 1-naphthol-4-sulfonate6099-57-664 % similar Disodium 1,5-naphthalenedisulfonate1655-29-457 % similar 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-156 % similar Sodium 1-naphthalenesulfonate130-14-355 % similar Sodium 2-formylbenzenesulfonate1008-72-653 % similar Pyranine6358-69-653 % similar Tiron (chemical)149-45-150 % similar

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

Elsewhere

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