Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ferrate(1-), bis(3-((5-((4-((3-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-2,5-dimethylphenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonamidato(2-))-, hydrogen, tris(2-hydroxypropanoate) (salt)
RN: 80063-38-3
InChIKey: LSVFQUFHLKUISB-IGRYXFEMSA-K

Molecular Formula

  • C86-H110-Fe-N30-O10-S2.3C3-H6-O3.H

Molecular Weight

  • 2115.2321
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 279-385-4

Systematic Name

  • Ferrate(1-), bis(3-((5-((4-((3-((4,6-bis((3-(diethylamino)propyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-2,5-dimethylphenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonamidato(2-))-, hydrogen, tris(2-hydroxypropanoate) (salt)

Registry Numbers

CAS Registry Number

  • 80063-38-3

System Generated Number

  • 0080063383

Molecular Formulas

Molecular Formula

  • C86-H110-Fe-N30-O10-S2.3C3-H6-O3.H

Molecular Formula Fragments

  • C3-H6-O3
  • C86-H110-Fe-N30-O10-S2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/2C43H57N15O5S.3C3H6O3.Fe/c2*1-7-57(8-2)20-12-18-45-41-48-42(46-19-13-21-58(9-3)10-4)50-43(49-41)47-30-14-11-15-31(24-30)51-52-33-22-29(6)34(23-28(33)5)53-55-36-26-37(40(61)27-39(36)60)56-54-35-25-32(64(44,62)63)16-17-38(35)59;3*1-2(4)3(5)6;/h2*11,14-17,22-27,59-61H,7-10,12-13,18-21H2,1-6H3,(H2,44,62,63)(H3,45,46,47,48,49,50);3*2,4H,1H3,(H,5,6);/q;;;;;+3/p-3/b2*52-51+,55-53+,56-54+;;;;

InChIKey

LSVFQUFHLKUISB-IGRYXFEMSA-K

Smiles

[H+].CCN(CCCNc1nc(nc(n1)NCCCN(CC)CC)Nc2cc(ccc2)/N=N/c3c(cc(c(c3)C)/N=N/c4c(cc5c(c4)/N=N/c6c(ccc(c6)S(=O)(=O)N)O[Fe-]7(O5)Oc8c(cc(c(c8)O)/N=N/c9c(cc(c(c9)C)/N=N/c1cc(ccc1)Nc1nc(nc(n1)NCCCN(CC)CC)NCCCN(CC)CC)C)/N=N/c1c(ccc(c1)S(=O)(=O)N)O7)O)C)CC.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O