chempirical

Sodium 2-anthraquinonesulfonate

C14H7NaO5SCAS 131-08-8310.25 g/mol

Open in Covalent MOL file
O−SOOOONa+
KetoneSulfonic acid

Properties

Molecular formula
C14H7NaO5S
Molar mass
310.25 g/mol
Exact mass
309.9912 Da
logP
1.33Crippen estimate
Polar surface area
88.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
131-08-8
SMILES
[O-]S(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1.[Na+]
InChIKey
XUINISXRACTVNW-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O5S.Na/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;/h1-7H,(H,17,18,19);

Weigh it out

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

Names and synonyms

8 names
  • 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
  • 2-Anthraquinonesulfonic acid sodium salt
  • 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt
  • Anthraquinone-2-sulfonate sodium salt
  • Sodium 2-anthrachinonesulphonate
  • Sodium 9,10-anthraquinone-2-sulfonate
  • Sodium β-anthraquinonesulfonate
  • 2-Sulfoanthraquinone sodium salt

Work with Sodium 2-anthraquinonesulfonate

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

Disodium anthraquinone-2,7-disulfonate853-67-890 % similar Anthraquinone-2,6-disulfonic acid disodium salt853-68-990 % similar Sodium 2-naphthalenesulfonate532-02-554 % similar Alizarin red S130-22-353 % similar C.I. Mordant black 131324-21-653 % similar Disodium m-benzenedisulfonate831-59-453 % similar Disodium 2,6-naphthalenedisulfonate1655-45-451 % similar Indigo carmine860-22-051 % similar

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

Same formula

Sodium anthraquinone-1-sulfonate128-56-3

Elsewhere

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