chempirical

Allura red ac

C18H14N2Na2O8S2CAS 25956-17-6496.42 g/mol

Open in Covalent MOL file
OSO−OONNHOSO−OONa+Na+
AzoEtherPhenolSulfonic acid

Properties

Molecular formula
C18H14N2Na2O8S2
Molar mass
496.42 g/mol
Exact mass
495.9987 Da
logP
3.01Crippen estimate
Polar surface area
162.9 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
5

Identifiers

CAS number
25956-17-6
SMILES
COc1cc(S([O-])(=O)=O)c(C)cc1N=Nc1c(O)ccc2cc(S([O-])(=O)=O)ccc12.[Na+].[Na+]
InChIKey
YWVRKKBYWHKAAQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;

Weigh it out

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

Names and synonyms

23 names · show all
  • 2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-, sodium salt (1:2)
  • 2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt
  • 2-Naphthalenesulfonic acid, 6-hydroxy-5-[(6-methoxy-4-sulfo-m-tolyl)azo]-, disodium salt
  • FD and C red no. 40
  • Red no. 40
  • FD&C red no. 40
  • C.I. Food red 17
  • Allura red
  • C.I. 16035
  • FDC Red 40
  • Food red 17
  • Allura red 40
  • FDC Red 40 dye
  • Red 40
  • E 129 (Dye)
  • Japan red 40
  • Food red no. 17
  • Japan food red no. 40
  • Food red no. 40
  • Fancy red
  • E 129
  • Alura red AC
  • Alura red

Work with Allura red ac

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

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

Elsewhere

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