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Substance Name: EINECS 301-587-9
RN: 94022-93-2
InChIKey: JHBKBLIGFVWXBR-ZYCJSZEYSA-J

Molecular Formula

  • C52-H22-Cl4-Cu2-N14-O28-S8.8H

Molecular Weight

  • 1824.311
 
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Names and Synonyms

Results Name

  • EINECS 301-587-9

Synonym

  • EINECS 301-587-9

Systematic Name

  • Cuprate(8-), (mu-((4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(6-((3-chloro-2-hydroxy-5-sulfophenyl)azo)-5-hydroxy-2,7-naphthalenedisulfonato))(12-)))di-, octahydrogen

Registry Numbers

CAS Registry Number

  • 94022-93-2

System Generated Number

  • 0094022932

Molecular Formulas

Molecular Formula

  • C52-H22-Cl4-Cu2-N14-O28-S8.8H

Molecular Formula Fragments

  • C52-H22-Cl4-Cu2-N14-O28-S8
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C52H34Cl4N14O28S8.2Cu/c53-29-13-27(101(81,82)83)17-33(43(29)71)67-69-41-37(105(93,94)95)9-21-7-25(99(75,76)77)15-31(39(21)45(41)73)59-51-63-47(55)61-49(65-51)57-23-5-3-19(35(11-23)103(87,88)89)1-2-20-4-6-24(12-36(20)104(90,91)92)58-50-62-48(56)64-52(66-50)60-32-16-26(100(78,79)80)8-22-10-38(106(96,97)98)42(46(74)40(22)32)70-68-34-18-28(102(84,85)86)14-30(54)44(34)72;;/h1-18,71-74H,(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,57,59,61,63,65)(H2,58,60,62,64,66);;/q;2*+2/p-4/b2-1+,69-67+,70-68+;;

InChIKey

JHBKBLIGFVWXBR-ZYCJSZEYSA-J

Smiles

Clc1cc2cc3N=Nc4c5O[Cu-4]67(Oc13)(OS2(=O)=O)OS(=O)(=O)c8cc(Nc9nc(Cl)nc(Nc%10ccc(\C=C\c%11ccc%12Nc%13nc(Cl)nc(Nc%14cc%15cc%16cc%17c%18N=Nc%19cc%20cc(Cl)c%19O[Cu-4](Oc%18c%14%16)(OS%20(=O)=O)(OS%15(=O)=O)(OS(=O)(=O)c%11c%12)OS%17(=O)=O)n%13)c(c%10)S(=O)(=O)O6)n9)c5c(c8)cc4S(=O)(=O)O7