2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt

C₁₀H₆Na₂O₈S₂CAS 7153-21-1364.25 g/mol

Open in Covalent MOL file

Phenol Sulfonic acid

Properties

Molecular formula: C₁₀H₆Na₂O₈S₂
Molar mass: 364.25 g/mol
Exact mass: 363.9299 Da
logP: -0.02Crippen estimate
Polar surface area: 149.2 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2

Identifiers

CAS number

7153-21-1

SMILES

[O-]S(=O)(=O)c1cc2cc(S([O-])(=O)=O)c(O)cc2cc1O.[Na+].[Na+]

InChIKey

LSFWJDNEINEGNI-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O8S2.2Na/c11-7-1-5-2-8(12)10(20(16,17)18)4-6(5)3-9(7)19(13,14)15;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;

Weigh it out

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

Names and synonyms

7 names

2,7-Naphthalenedisulfonic acid, 3,6-dihydroxy-, sodium salt (1:2)
2,7-Naphthalenedisulfonic acid, 3,6-dihydroxy-, disodium salt
Coupler O
Coupler 518
Disodium 2,7-dihydroxynaphthalene-3,6-disulfonate
2,7-Dihydroxy-3,6-naphthalenedisulfonic acid disodium salt
Disodium 3,6-dihydroxynaphthalene-2,7-disulfonate

Work with 2,7-Dihydroxy-3,6-naphthalenesulfonate 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

2-Naphthol-3,6-disulfonic acid disodium salt135-51-376 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-559 % similar Sodium O-phenolsulfonate1300-51-256 % similar Tiron (chemical)149-45-154 % similar Pyranine6358-69-653 % similar Potassium 2,5-dihydroxybenzenesulfonate21799-87-150 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-250 % similar Sodium 1-naphthol-4-sulfonate6099-57-650 % similar

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

Elsewhere

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