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Substance Name: EINECS 300-133-7
RN: 93921-06-3
InChIKey: GHCSBDVOAMPEPY-PLISVWDGSA-M

Molecular Formula

  • C38-H20-Cl2-Cu-N14-O18-S5.6H

Molecular Weight

  • 1261.4854
 
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Names and Synonyms

Results Name

  • EINECS 300-133-7

Synonym

  • EINECS 300-133-7

Systematic Name

  • Cuprate(6-), (2-((((3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulfophenyl)azo)phenylmethyl)azo)-5-sulfobenzoato(8-))-, hexahydrogen, (SP-4-3)-

Registry Numbers

CAS Registry Number

  • 93921-06-3

System Generated Number

  • 0093921063

Molecular Formulas

Molecular Formula

  • C38-H20-Cl2-Cu-N14-O18-S5.6H

Molecular Formula Fragments

  • C38-H20-Cl2-Cu-N14-O18-S5
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C38H27Cl2N14O18S5.Cu/c39-33-45-35(41-18-7-4-8-19(11-18)73(58,59)60)49-36(46-33)42-24-15-29(77(70,71)72)25(16-28(24)76(67,68)69)43-37-47-34(40)48-38(50-37)44-26-13-21(75(64,65)66)14-27(30(26)55)52-54-31(17-5-2-1-3-6-17)53-51-23-10-9-20(74(61,62)63)12-22(23)32(56)57;/h1-16,55H,(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,41,42,45,46,49)(H2,43,44,47,48,50);/q;+1/p-1/b53-51+,54-52+;

InChIKey

GHCSBDVOAMPEPY-PLISVWDGSA-M

Smiles

Clc1nc2Nc3cccc(c3)S(=O)(=O)O[Cu-6]456789OC(=O)c%10cc(ccc%10N=NC4(N=Nc%11cc(cc(Nc%12nc(Cl)nc(Nc%13cc(c(Nc(n1)n2)cc%13S(=O)(=O)O5)S(=O)(=O)O6)n%12)c%11O7)S(=O)(=O)O8)c%14ccccc%14)S(=O)(=O)O9