chempirical

Sodium 2,3-dihydroxynaphthalene-6-sulfonate

C10H7NaO5SCAS 135-53-5262.21 g/mol

Open in Covalent MOL file
O−SOOOHOHNa+
PhenolSulfonic acid

Properties

Molecular formula
C10H7NaO5S
Molar mass
262.21 g/mol
Exact mass
261.9912 Da
logP
1.12Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
135-53-5
SMILES
[O-]S(=O)(=O)c1ccc2cc(O)c(O)cc2c1.[Na+]
InChIKey
QSXGWWXIYUVOMC-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O5S.Na/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12;/h1-5,11-12H,(H,13,14,15);

Weigh it out

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

Names and synonyms

6 names
  • 2-Naphthalenesulfonic acid, 6,7-dihydroxy-, sodium salt (1:1)
  • 2-Naphthalenesulfonic acid, 6,7-dihydroxy-, monosodium salt
  • 2,3-Dihydroxynaphthalene-6-sodium sulfonate
  • 6,7-Dihydroxy-2-naphthalenesulfonic acid sodium salt
  • Coupler 111
  • Coupler 517

Work with Sodium 2,3-dihydroxynaphthalene-6-sulfonate

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

2-Naphthol-3,6-disulfonic acid disodium salt135-51-382 % similar Disodium 2,6-naphthalenedisulfonate1655-45-476 % similar Disodium 2,7-naphthalenedisulfonate1655-35-273 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-271 % similar Sodium 7-hydroxy-2-naphthalenesulfonate135-55-769 % similar 4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-767 % similar Sodium 2-naphthalenesulfonate532-02-567 % similar 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-959 % similar

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

Same formula

2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)83732-66-5

Elsewhere

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