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Substance Name: Tetrasodium (4-acetamido-5-hydroxy-6-((2-hydroxy-4-((4-(2-(4-((4-methoxyphenyl)azo)-2-sulphophenyl)vinyl)-3-sulphophenyl)azo)-6-sulpho-1-naphthyl)azo)naphthalene-1-sulphonato(6-))cuprate(4-)
RN: 13102-26-6
InChIKey: PQWCDLJRIIVKKH-SODDXFDHSA-H

Molecular Formula

  • C43-H27-Cu-N7-O16-S4.4Na

Molecular Weight

  • 1181.4893
 
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Names and Synonyms

Synonym

  • EINECS 236-020-3

Systematic Name

  • Tetrasodium (4-acetamido-5-hydroxy-6-((2-hydroxy-4-((4-(2-(4-((4-methoxyphenyl)azo)-2-sulphophenyl)vinyl)-3-sulphophenyl)azo)-6-sulpho-1-naphthyl)azo)naphthalene-1-sulphonato(6-))cuprate(4-)

Registry Numbers

CAS Registry Number

  • 13102-26-6

System Generated Number

  • 0013102266

Molecular Formulas

Molecular Formula

  • C43-H27-Cu-N7-O16-S4.4Na

Molecular Formula Fragments

  • C43-H27-Cu-N7-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C43H33N7O16S4.Cu.4Na/c1-23(51)44-34-17-18-38(68(57,58)59)32-15-16-35(43(53)41(32)34)48-50-42-31-14-13-30(67(54,55)56)21-33(31)36(22-37(42)52)49-47-28-8-6-25(40(20-28)70(63,64)65)4-3-24-5-7-27(19-39(24)69(60,61)62)46-45-26-9-11-29(66-2)12-10-26;;;;;/h3-22,52-53H,1-2H3,(H,44,51)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;;/q;+2;4*+1/p-6/b4-3+,46-45+,49-47+,50-48-;;;;;

InChIKey

PQWCDLJRIIVKKH-SODDXFDHSA-H

Smiles

CC(=O)Nc1ccc(c2c1c3c(cc2)/N=N\c4c5ccc(cc5c(cc4O[Cu]O3)/N=N/c6ccc(c(c6)S(=O)(=O)[O-])/C=C/c7ccc(cc7S(=O)(=O)[O-])/N=N/c8ccc(cc8)OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]