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Substance Name: EINECS 279-384-9
RN: 80063-37-2
InChIKey: OJDHGQIAVLCJIL-LOMHMKAWSA-K

Molecular Formula

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

Molecular Weight

  • 2115.2321
 
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Names and Synonyms

Results Name

  • EINECS 279-384-9

Synonym

  • EINECS 279-384-9

Systematic Name

  • Ferrate(1-), bis(3-((3-((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

  • 80063-37-2

System Generated Number

  • 0080063372

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

InChIKey

OJDHGQIAVLCJIL-LOMHMKAWSA-K

Smiles

CCN(CC)CCCNc1nc(NCCCN(CC)CC)nc(Nc2cccc(c2)N=Nc3cc(C)c(cc3C)N=Nc4c(O)ccc5N=Nc6cc(ccc6O[Fe-]7(Oc8ccc(cc8N=Nc9ccc(O)c(N=Nc%10cc(C)c(cc%10C)N=Nc%11cccc(Nc%12nc(NCCCN(CC)CC)nc(NCCCN(CC)CC)n%12)c%11)c9O7)S(=O)(=O)N)Oc45)S(=O)(=O)N)n1.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O