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Substance Name: Direct Blue 1 acid
RN: 3841-14-3
UNII: R1UJK1UY9R
InChIKey: OHMJKMNGYYWCHB-HVMBLDELSA-N

Molecular Formula

  • C34-H28-N6-O16-S4

Molecular Weight

  • 904.8852
 
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Names and Synonyms

Name of Substance

  • Direct Blue 1 acid

Synonyms

  • EINECS 223-333-5
  • UNII-R1UJK1UY9R

Systematic Names

  • 1,3-Naphthalenedisulfonic acid, 6,6'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(4-amino-5-hydroxy-
  • 1,3-Naphthalenedisulfonic acid, 6,6'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-amino-5-hydroxy-
  • 6,6'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-amino-5-hydroxynaphthalene-1,3-disulphonic) acid

Registry Numbers

CAS Registry Number

  • 3841-14-3

FDA UNII

  • R1UJK1UY9R

System Generated Number

  • 0003841143

Structure Descriptors

InChI

1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+

InChIKey

OHMJKMNGYYWCHB-HVMBLDELSA-N

Smiles

COc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(OC)c4