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Substance Name: Direct Black 75 free acid
RN: 25254-99-3
UNII: ZXN3088THC
InChIKey: BCRZHZXFPILYQP-KMKLVWFNSA-N

Molecular Formula

  • C50-H32-N8-O17-S5

Molecular Weight

  • 1177.1718
 
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Names and Synonyms

Name of Substance

  • Direct Black 75 free acid

Synonyms

  • 1,5-Naphthalenedisulfonic acid, 3-((4-((4-((1-hydroxy-7-((2-hydroxy-6-sulfo-1-naphthalenyl)azo)-3-sulfo-1-naphthalenyl)azo)-6-sulfo-1-naphthalenyl)azo)-1-naphthalenyl)azo)-
  • 1,5-Naphthalenedisulfonic acid, 3-(2-(4-(2-(4-(2-(1-hydroxy-7-(2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl)-3-sulfo-2-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-1-naphthalenyl)diazenyl)-
  • C.i. direct Black 75 (free acid)
  • Direct Black 75 free acid
  • UNII-ZXN3088THC

Registry Numbers

CAS Registry Number

  • 25254-99-3

FDA UNII

  • ZXN3088THC

System Generated Number

  • 0025254993

Structure Descriptors

InChI

1S/C50H32N8O17S5/c59-44-19-9-26-20-30(76(61,62)63)11-13-32(26)48(44)57-51-28-10-8-27-21-47(80(73,74)75)49(50(60)37(27)22-28)58-56-43-18-17-42(35-14-12-31(25-38(35)43)77(64,65)66)55-54-41-16-15-40(33-4-1-2-5-34(33)41)53-52-29-23-39-36(46(24-29)79(70,71)72)6-3-7-45(39)78(67,68)69/h1-25,59-60H,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/b53-52+,55-54+,57-51+,58-56+

InChIKey

BCRZHZXFPILYQP-KMKLVWFNSA-N

Smiles

Oc1ccc2cc(ccc2c1N=Nc3ccc4cc(c(N=Nc5ccc(N=Nc6ccc(N=Nc7cc(c8cccc(c8c7)S(=O)(=O)O)S(=O)(=O)O)c9ccccc69)c%10ccc(cc5%10)S(=O)(=O)O)c(O)c4c3)S(=O)(=O)O)S(=O)(=O)O