Chromotropic acid disodium salt dihydrate

C₁₀H₁₀Na₂O₁₀S₂CAS 5808-22-0400.28 g/mol

Open in Covalent MOL file

Phenol Sulfonic acid

Properties

Molecular formula: C₁₀H₁₀Na₂O₁₀S₂
Molar mass: 400.28 g/mol
Exact mass: 399.9511 Da
logP: -1.67Crippen estimate
Polar surface area: 212.2 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2

Identifiers

CAS number

5808-22-0

SMILES

[O-]S(=O)(=O)c1cc(O)c2c(O)cc(S([O-])(=O)=O)cc2c1.O.O.[Na+].[Na+]

InChIKey

BAXLVCPBGWZLAU-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O8S2.2Na.2H2O/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;;2*1H2

Weigh it out

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

Names and synonyms

2 names

2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-, sodium salt, hydrate (1:2:2)
2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-, disodium salt, dihydrate

Work with Chromotropic acid disodium salt dihydrate

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

4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-761 % similar 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt5460-09-360 % similar 2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)83732-66-556 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-555 % similar Tiron (chemical)149-45-155 % similar Sodium P-phenolsulfonate dihydrate10580-19-551 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-350 % similar Chromotropic acid148-25-450 % similar

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

Elsewhere

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