Anthraquinone-2,6-disulfonic acid disodium salt

C₁₄H₆Na₂O₈S₂CAS 853-68-9412.29 g/mol

Open in Covalent MOL file

Ketone Sulfonic 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 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 2

Identifiers

CAS number

853-68-9

SMILES

[O-]S(=O)(=O)c1ccc2C(=O)c3cc(S([O-])(=O)=O)ccc3C(=O)c2c1.[Na+].[Na+]

InChIKey

YBCXDOQKQWMGBF-UHFFFAOYSA-N

InChI

InChI=1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;

Weigh it out

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

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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