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Substance Name: C.I. Direct Red 80
RN: 25188-41-4
UNII: 29AND524MI
InChIKey: IUNAENBIEJRAKZ-NQJCQUKBSA-N

Note

  • Sirius red F 3B refers to hexa-Na salt.

Classification Code

  • Coloring Agents

Molecular Formula

  • C45-H32-N10-O21-S6

Molecular Weight

  • 1241.19
 
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Names and Synonyms

Name of Substance

  • C.I. Direct Red 80

Synonym

  • UNII-29AND524MI

Systematic Names

  • 2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis(4-hydroxy-3-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-
  • 7,7'-(Carbonyldiimino)bis(4-hydroxy-3-((2-sulfo-4-((4-sulfophenyl)azo)phenyl) azo)-2-naphthalenesulfonic acid)

Registry Numbers

CAS Registry Number

  • 25188-41-4

FDA UNII

  • 29AND524MI

Related Registry Number

  • 2610-10-8 (hexa-hydrochloride salt)

System Generated Number

  • 0025188414

Structure Descriptors

InChI

1S/C45H32N10O21S6/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64/h1-22,56-57H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/b50-48+,51-49+,54-52+,55-53+

InChIKey

IUNAENBIEJRAKZ-NQJCQUKBSA-N

Smiles

c1(S(=O)(=O)O)c(\N=N\c2c(S(=O)(=O)O)cc(\N=N\c3ccc(S(=O)(=O)O)cc3)cc2)c(c2ccc(NC(Nc3cc4cc(S(=O)(=O)O)c(c(c4cc3)O)\N=N\c3c(S(=O)(=O)O)cc(\N=N\c4ccc(S(=O)(=O)O)cc4)cc3)=O)cc2c1)O