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Substance Name: EINECS 286-918-4
RN: 85392-58-1
InChIKey: XQEOACXKUUHWRC-CYXDXXRZSA-H

Molecular Formula

  • C25-H12-Fe2-N6-O16-S2

Molecular Weight

  • 828.2178
 
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Names and Synonyms

Results Name

  • EINECS 286-918-4

Synonym

  • EINECS 286-918-4

Systematic Name

  • (mu-((3,3'-(Methylenebis((4,6-dihydroxy-m-phenylene)azo))bis(4-hydroxy-5-nitrobenzenesulphonato))(6-)))diiron

Registry Numbers

CAS Registry Number

  • 85392-58-1

System Generated Number

  • 0085392581

Structure Descriptors

InChI

1S/C25H18N6O16S2.2Fe/c32-20-8-22(34)14(26-28-16-4-12(48(42,43)44)6-18(24(16)36)30(38)39)2-10(20)1-11-3-15(23(35)9-21(11)33)27-29-17-5-13(49(45,46)47)7-19(25(17)37)31(40)41;;/h2-9,32-37H,1H2,(H,42,43,44)(H,45,46,47);;/q;2*+3/p-6/b28-26+,29-27+;;

InChIKey

XQEOACXKUUHWRC-CYXDXXRZSA-H

Smiles

Oc1c2cc(cc1[N+](=O)[O-])S(=O)(=O)O[Fe]3Oc4cc(O3)c(cc4Cc5cc6N=Nc7cc(cc(c7O)[N+](=O)[O-])S(=O)(=O)O[Fe]8Oc5cc6O8)N=N2