Disodium 9,10-dioxoanthracene-1,5-disulfonate(2-)

C14H6Na2O8S2CAS 853-35-0412.29 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
853-35-0
SMILES
[O-]S(=O)(=O)c1cccc2C(=O)c3c(cccc3S([O-])(=O)=O)C(=O)c12.[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.

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Names and synonyms

6 names
  • 1,5-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
  • 1,5-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, disodium salt
  • Disodium anthraquinone-1,5-disulfonate
  • Sodium anthraquinone-1,5-disulfonate
  • Anthraquinone-1,5-disulfonic acid disodium salt
  • Disodium 9,10-anthraquinone-1,5-disulfonate

Work with Disodium 9,10-dioxoanthracene-1,5-disulfonate(2-)

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 anthraquinone-1-sulfonate128-56-391 % similar Alizarin red S130-22-360 % similar Disodium 1,5-naphthalenedisulfonate1655-29-455 % similar Sodium 1-amino-4-bromoanthraquinone-2-sulfonate6258-06-652 % similar 9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid82-49-551 % similar Sodium 2-anthraquinonesulfonate131-08-850 % similar Acid green 254403-90-150 % similar Sodium 1-naphthalenesulfonate130-14-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Disodium anthraquinone-2,7-disulfonate853-67-8 Anthraquinone-2,6-disulfonic acid disodium salt853-68-9

Elsewhere

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