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Substance Name: EINECS 299-251-9
RN: 93858-19-6
InChIKey: DBXLTGXGMWCKMX-UHFFFAOYSA-K

Molecular Formula

  • C39-H22-Cu-N11-O13-S5.3Na

Molecular Weight

  • 1145.5128
 
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Names and Synonyms

Results Name

  • EINECS 299-251-9

Synonym

  • EINECS 299-251-9

Systematic Name

  • Trisodium (22-(((3-amino-5-sulpho-p-tolyl)amino)sulphonyl)-15-sulphamoyl-29H,31H-phthalocyanine-1,8-disulphonato(5-)-N29,N30,N31,N32)cuprate(3-)

Registry Numbers

CAS Registry Number

  • 93858-19-6

System Generated Number

  • 0093858196

Molecular Formulas

Molecular Formula

  • C39-H22-Cu-N11-O13-S5.3Na

Molecular Formula Fragments

  • C39-H22-Cu-N11-O13-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H25N11O13S5.Cu.3Na/c1-16-30(40)10-17(11-31(16)68(61,62)63)50-65(53,54)19-3-7-23-27(13-19)37-44-32-22-6-2-18(64(41,51)52)12-26(22)36(42-32)43-34-24-8-4-20(66(55,56)57)14-28(24)39(47-34)49-35-25-9-5-21(67(58,59)60)15-29(25)38(48-35)46-33(23)45-37;;;;/h2-15,50H,40H2,1H3,(H5-2,41,42,43,44,45,46,47,48,49,51,52,55,56,57,58,59,60,61,62,63);;;;/q-2;+2;3*+1/p-3

InChIKey

DBXLTGXGMWCKMX-UHFFFAOYSA-K

Smiles

[Na+].[Na+].[Na+].Cc1c(N)cc(NS(=O)(=O)c2ccc3c4\N=C\5/N=C(\N=C\6/N7[Cu]n4c(\N=C\8/N=C(\N=C/7\c9ccc(cc69)S(=O)(=O)[O-])c%10cc(ccc8%10)S(=O)(=O)N)c3c2)c%11ccc(cc5%11)S(=O)(=O)[O-])cc1S(=O)(=O)[O-]