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Substance Name: Direct Black 51 3-salicylate
RN: 10330-04-8
UNII: 692I98XDPF
InChIKey: QENJECLVTWIZIG-FBYWTXOISA-L

Molecular Formula

  • C27-H19-N5-O7-S.2Na

Molecular Weight

  • 601.505
 
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Names and Synonyms

Name of Substance

  • Direct Black 51 3-salicylate

Synonyms

  • 3-((4-((7-Amino-1-hydroxy-3-sulfo-2-naphthyl)azo)-1-naphthyl)azo)salicylic acid, disodium salt
  • EINECS 233-719-5
  • UNII-692I98XDPF

Systematic Names

  • Benzoic acid, 3-((4-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-1-naphthalenyl)azo)-2-hydroxy-, disodium salt
  • Benzoic acid, 3-(2-(4-(2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-1-naphthalenyl)diazenyl)-2-hydroxy-, sodium salt (1:2)
  • Disodium 3-((4-((7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-1-naphthyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 10330-04-8

FDA UNII

  • 692I98XDPF

System Generated Number

  • 0010330048

Molecular Formulas

Molecular Formula

  • C27-H19-N5-O7-S.2Na

Molecular Formula Fragments

  • C27-H19-N5-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H19N5O7S.2Na/c28-15-9-8-14-12-23(40(37,38)39)24(26(34)19(14)13-15)32-30-21-11-10-20(16-4-1-2-5-17(16)21)29-31-22-7-3-6-18(25(22)33)27(35)36;;/h1-13,33-34H,28H2,(H,35,36)(H,37,38,39);;/q;2*+1/p-2/b31-29+,32-30+;;

InChIKey

QENJECLVTWIZIG-FBYWTXOISA-L

Smiles

C(c1c(c(ccc1)\N=N\c1ccc(c2ccccc12)\N=N\c1c(c2cc(ccc2cc1S(=O)(=O)[O-])N)O)O)(=O)[O-].[Na+].[Na+]