Hydroxynaphthol blue

C₂₀H₁₁N₂Na₃O₁₁S₃CAS 63451-35-4620.46 g/mol

Open in Covalent MOL file

Azo Phenol Sulfonic acid

Properties

Molecular formula: C₂₀H₁₁N₂Na₃O₁₁S₃
Molar mass: 620.46 g/mol
Exact mass: 619.9218 Da
logP: 2.42Crippen estimate
Polar surface area: 228.3 Å²
H-bond donors / acceptors: 5 / 10
Rotatable bonds: 5

Identifiers

CAS number

63451-35-4

SMILES

[O-]S(=O)(=O)c1ccc2c(c1)cc(S([O-])(=O)=O)c(O)c2N=Nc1c(O)cc(S([O-])(=O)=O)c2ccccc12.[Na+].[Na+].[Na+]

InChIKey

YWJNZAFYBKZTEU-UHFFFAOYSA-N

InChI

InChI=1S/C20H14N2O11S3.3Na/c23-15-9-16(35(28,29)30)13-3-1-2-4-14(13)18(15)21-22-19-12-6-5-11(34(25,26)27)7-10(12)8-17(20(19)24)36(31,32)33;;;/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;

Weigh it out

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

Names and synonyms

3 names

2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:3)
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]-, trisodium salt
Hydroxy naphthol blue

Work with Hydroxynaphthol blue

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

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

Elsewhere

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