chempirical

4,4′-Dinitro-2,2′-stilbenedisulfonic acid

C14H10N2O10S2CAS 128-42-7430.36 g/mol

Open in Covalent MOL file
ON+O−N+OO−SOOOHSOOOH
AlkeneNitroSulfonic acid

Properties

Molecular formula
C14H10N2O10S2
Molar mass
430.36 g/mol
Exact mass
429.9777 Da
Melting point
266 °C
logP
2.17Crippen estimate
Polar surface area
195.0 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
6

Identifiers

CAS number
128-42-7
SMILES
O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1
InChIKey
UETHPMGVZHBAFB-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)

Weigh it out

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

Names and synonyms

7 names
  • Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-nitro-
  • 2,2′-Stilbenedisulfonic acid, 4,4′-dinitro-
  • 2,2′-(1,2-Ethenediyl)bis[5-nitrobenzenesulfonic acid]
  • Dinitrostilbenedisulfonic acid
  • DNS
  • DNDS
  • NSC 1793

Work with 4,4′-Dinitro-2,2′-stilbenedisulfonic acid

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

5-Amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid119-72-282 % similar 2-Methyl-5-nitrobenzenesulfonic acid121-03-967 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-167 % similar 4-Nitroaniline-2-sulfonic acid96-75-367 % similar 2,4-Dinitrobenzenesulfonic acid89-02-166 % similar Stattic19983-44-964 % similar 4-Nitrobenzenesulfonic acid138-42-157 % similar 5-Nitro-2-carboxybenzenesulfonic acid potassium salt5344-48-957 % similar

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

Elsewhere

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