chempirical

Nitroso R

C10H5NNa2O8S2CAS 525-05-3377.25 g/mol

Open in Covalent MOL file
O−SOOSO−OOOHNONa+Na+
PhenolSulfonic acid

Properties

Molecular formula
C10H5NNa2O8S2
Molar mass
377.25 g/mol
Exact mass
376.9252 Da
logP
0.68Crippen estimate
Polar surface area
158.4 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
3

Identifiers

CAS number
525-05-3
SMILES
[O-]S(=O)(=O)c1ccc2c(c1)cc(S([O-])(=O)=O)c(O)c2N=O.[Na+].[Na+]
InChIKey
QIDYDPDOWQSGPD-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO8S2.2Na/c12-10-8(21(17,18)19)4-5-3-6(20(14,15)16)1-2-7(5)9(10)11-13;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;

Weigh it out

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

Names and synonyms

10 names
  • 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-nitroso-, sodium salt (1:2)
  • 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-nitroso-, disodium salt
  • Nitroso-R salt
  • 1-Nitroso-3,6-disulfo-2-naphthol disodium salt
  • Disodium 1-nitroso-3,6-disulfo-2-naphthol
  • Disodium 1-nitroso-2-naphthol-3,6-disulfate
  • Disodium 1-nitroso-2-naphthol-3,6-disulfonate
  • Disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate
  • Nitroso red salt
  • 1-Nitroso-2-naphthol-3,6-disulfonic acid disodium salt

Work with Nitroso R

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

Ponceau 3R3564-09-865 % similar Hydroxynaphthol blue63451-35-465 % similar Amaranth (dye)915-67-365 % similar Ponceau S6226-79-564 % similar Sodium 1,3,6-naphthalenetrisulfonate5182-30-957 % similar 4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-754 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-352 % similar Disodium 1,6-naphthalenedisulfonate1655-43-251 % similar

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

Elsewhere

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