Disodium 1,5-naphthalenedisulfonate

C₁₀H₆Na₂O₆S₂CAS 1655-29-4332.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₆Na₂O₆S₂
Molar mass: 332.25 g/mol
Exact mass: 331.9401 Da
logP: 0.57Crippen estimate
Polar surface area: 108.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

1655-29-4

SMILES

[O-]S(=O)(=O)c1cccc2c1cccc2S([O-])(=O)=O.[Na+].[Na+]

InChIKey

DZPDBGURMVIGOL-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;

Weigh it out

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

Names and synonyms

4 names

1,5-Naphthalenedisulfonic acid, sodium salt (1:2)
1,5-Naphthalenedisulfonic acid, disodium salt
Sodium 1,5-naphthalenedisulfonate
Disodium naphthalene-1,5-disulfonate

Work with Disodium 1,5-naphthalenedisulfonate

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 1-naphthalenesulfonate130-14-378 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-276 % similar Sodium naphthionate130-13-265 % similar Sodium 1-naphthol-4-sulfonate6099-57-665 % similar 2-Amino-1,5-naphthalenedisulfonic acid sodium salt19532-03-758 % similar Sodium O-phenolsulfonate1300-51-257 % similar Tetrasodium 1,3,6,8-pyrenetetrasulfonate59572-10-055 % similar Disodium 9,10-dioxoanthracene-1,5-disulfonate(2-)853-35-055 % similar

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

Same formula

Disodium 2,7-naphthalenedisulfonate1655-35-2 Disodium 1,6-naphthalenedisulfonate1655-43-2 Disodium 2,6-naphthalenedisulfonate1655-45-4

Elsewhere

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