Disodium anthraquinone-2,7-disulfonate

C₁₄H₆Na₂O₈S₂CAS 853-67-8412.29 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

853-67-8

SMILES

[O-]S(=O)(=O)c1ccc2C(=O)c3ccc(S([O-])(=O)=O)cc3C(=O)c2c1.[Na+].[Na+]

InChIKey

YOKDBCAMTBOHCA-UHFFFAOYSA-N

InChI

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

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