Anthraquinone-2,6-disulfonic acid disodium salt

C14H6Na2O8S2CAS 853-68-9412.29 g/mol

Open in Covalent MOL file
O−SOOOSO−OOONa+Na+
KetoneSulfonic acid

Properties

Molecular formula
C14H6Na2O8S2
Molar mass
412.29 g/mol
Exact mass
411.9299 Da
logP
0.19Crippen estimate
Polar surface area
142.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
853-68-9
SMILES
[O-]S(=O)(=O)c1ccc2C(=O)c3cc(S([O-])(=O)=O)ccc3C(=O)c2c1.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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Names and synonyms

7 names
  • 2,6-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
  • 2,6-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, disodium salt
  • Sodium anthraquinone-2,6-disulfonate
  • Disodium anthraquinone-2,6-disulfonate
  • Disodium 9,10-anthraquinone-2,6-disulfonate
  • AQS
  • Disodium 9,10-dioxoanthracene-2,6-disulfonate

Work with Anthraquinone-2,6-disulfonic acid disodium salt

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 2-anthraquinonesulfonate131-08-890 % similar Disodium 2,6-naphthalenedisulfonate1655-45-456 % similar Indigo carmine860-22-055 % similar Disodium 2,7-naphthalenedisulfonate1655-35-255 % similar Disodium m-benzenedisulfonate831-59-453 % similar Sodium anthraquinone-1-sulfonate128-56-350 % similar Sodium xylenesulfonate1300-72-750 % similar Sodium 2-naphthalenesulfonate532-02-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Disodium 9,10-dioxoanthracene-1,5-disulfonate(2-)853-35-0 Disodium anthraquinone-2,7-disulfonate853-67-8

Elsewhere

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