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Substance Name: Octasodium 7,7'-(vinylbis((3-sulphonato-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(5-methoxy-2-methyl-4,1-phenylene)azo))bisnaphthalene-1,3,5-trisulphonate
RN: 85631-79-4
InChIKey: GGQPRHFWJZRLFK-XOKADDRQSA-N

Molecular Formula

  • C56-H44-Cl2-N14-O26-S8.8Na

Molecular Weight

  • 1840.3896
 
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Names and Synonyms

Synonym

  • EINECS 288-028-1

Systematic Name

  • Octasodium 7,7'-(vinylbis((3-sulphonato-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(5-methoxy-2-methyl-4,1-phenylene)azo))bisnaphthalene-1,3,5-trisulphonate

Registry Numbers

CAS Registry Number

  • 85631-79-4

System Generated Number

  • 0085631794

Molecular Formulas

Molecular Formula

  • C56-H44-Cl2-N14-O26-S8.8Na

Molecular Formula Fragments

  • C56-H44-Cl2-N14-O26-S8
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C56H44Cl2N14O26S8.8Na/c1-25-11-41(43(97-3)23-39(25)71-69-31-13-35-37(47(17-31)103(85,86)87)19-33(99(73,74)75)21-49(35)105(91,92)93)61-55-65-51(57)63-53(67-55)59-29-9-7-27(45(15-29)101(79,80)81)5-6-28-8-10-30(16-46(28)102(82,83)84)60-54-64-52(58)66-56(68-54)62-42-12-26(2)40(24-44(42)98-4)72-70-32-14-36-38(48(18-32)104(88,89)90)20-34(100(76,77)78)22-50(36)106(94,95)96;;;;;;;;/h5-24H,1-4H3,(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,59,61,63,65,67)(H2,60,62,64,66,68);;;;;;;;/q;8*+1/b6-5+,71-69+,72-70+;;;;;;;;

InChIKey

GGQPRHFWJZRLFK-XOKADDRQSA-N

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].COc1cc(N=Nc2cc(c3cc(cc(c3c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c(C)cc1Nc4nc(Cl)nc(Nc5ccc(\C=C\c6ccc(Nc7nc(Cl)nc(Nc8cc(C)c(cc8OC)N=Nc9cc(c%10cc(cc(c%10c9)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)n7)cc6S(=O)(=O)O)c(c5)S(=O)(=O)O)n4