2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)

C₁₀H₇NaO₅SCAS 83732-66-5262.21 g/mol

Open in Covalent MOL file

Phenol Sulfonic acid

Properties

Molecular formula: C₁₀H₇NaO₅S
Molar mass: 262.21 g/mol
Exact mass: 261.9912 Da
logP: 1.12Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Identifiers

CAS number

83732-66-5

SMILES

[O-]S(=O)(=O)c1cc(O)c2cc(O)ccc2c1.[Na+]

InChIKey

BXLXDVCIYPQMQX-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O5S.Na/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7;/h1-5,11-12H,(H,13,14,15);

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Names and synonyms

1 names

2-Naphthalenesulfonic acid, 4,6-dihydroxy-, monosodium salt

Work with 2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)

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 salt20349-39-771 % similar Sodium 6-hydroxy-2-naphthalenesulfonate135-76-266 % similar 2-Naphthol-6,8-disulfonic acid dipotassium salt842-18-264 % similar Sodium 7-hydroxy-2-naphthalenesulfonate135-55-764 % similar 2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-, sodium salt (1:2)20324-87-256 % similar Chromotropic acid disodium salt dihydrate5808-22-056 % similar 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-956 % similar Sodium 4-hydroxybenzenesulfonate825-90-154 % similar

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

Same formula

Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-5

Elsewhere

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