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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 20:41, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 475318953 of page Allura_Red_AC for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 20:41, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 475318953 of page Allura_Red_AC for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 475318953 of page Allura_Red_AC with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonate
Other names Allura Red, Food Red 17, C.I. 16035, FD&C Red 40, E129, 2-naphthalenesulfonic acid disodium salt
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
UNII
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);;/q;2*+1/p-2/b20-19+;;Key: CEZCCHQBSQPRMU-LLIZZRELSA-L
  • InChI=1/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);;/q;2*+1/p-2/b20-19+;;Key: CEZCCHQBSQPRMU-JGGVBICHBN
SMILES
  • ..COc3cc(c(C)cc3/N=N/c1c2ccc(cc2ccc1O)S()(=O)=O)S()(=O)=O
Properties
Chemical formula C18H14N2Na2O8S2
Molar mass 496.42 g·mol
Appearance red powder
Melting point >300°C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound