Disodium anthraquinone-2,7-disulfonate

C14H6Na2O8S2CAS 853-67-8412.29 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.

Search the SDS library

Identifiers

CAS number
853-67-8
SMILES
[O-]S(=O)(=O)c1ccc2C(=O)c3ccc(S([O-])(=O)=O)cc3C(=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

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

Names and synonyms

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

Work with Disodium anthraquinone-2,7-disulfonate

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 Anthraquinone-2,6-disulfonic acid disodium salt853-68-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook