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Substance Name: Benzoic acid, 5-((4'-((6-amino-5-(1H-benzotriazol-5-ylazo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-4-methyl-, disodium salt
RN: 70210-28-5
InChIKey: IEQAZYZQECFEAV-WDAQRWJRSA-L

Molecular Formula

  • C38-H30-N10-O9-S.2Na

Molecular Weight

  • 846.746
 
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Names and Synonyms

  • Benzoic acid, 5-((4'-((6-amino-5-(1H-benzotriazol-5-ylazo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-4-methyl-, disodium salt

Registry Numbers

CAS Registry Number

  • 70210-28-5

System Generated Number

  • 0070210285

Molecular Formulas

Molecular Formula

  • C38-H30-N10-O9-S.2Na

Molecular Formula Fragments

  • C38-H30-N10-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H30N10O9S.2Na/c1-18-12-31(49)24(38(51)52)16-29(18)43-41-27-9-4-19(13-32(27)56-2)20-5-10-28(33(14-20)57-3)42-47-36-34(58(53,54)55)17-23-22(37(36)50)7-8-25(39)35(23)46-40-21-6-11-26-30(15-21)45-48-44-26;;/h4-17,49-50H,39H2,1-3H3,(H,51,52)(H,44,45,48)(H,53,54,55);;/q;2*+1/p-2/b43-41+,46-40+,47-42+;;

InChIKey

IEQAZYZQECFEAV-WDAQRWJRSA-L

Smiles

c1(S(=O)([O-])=O)c(\N=N\c2c(cc(c3cc(OC)c(\N=N\c4cc(C([O-])=O)c(cc4C)O)cc3)cc2)OC)c(O)c2c(c1)c(\N=N\c1cc3nn[nH]c3cc1)c(N)cc2.[Na+].[Na+]