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

C₁₄H₆Na₂O₈S₂CAS 853-35-0412.29 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

853-35-0

SMILES

[O-]S(=O)(=O)c1cccc2C(=O)c3c(cccc3S([O-])(=O)=O)C(=O)c12.[Na+].[Na+]

InChIKey

JBJNLCMOYWFUSP-UHFFFAOYSA-N

InChI

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

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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