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Substance Name: Disodium 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulfonate
RN: 72828-83-2
UNII: 17S7Z9OU85
InChIKey: KQTYMFGDOQCFRT-XPPIURIRSA-L

Molecular Formula

  • C35-H31-N3-O9-S2.2Na

Molecular Weight

  • 745.738
 
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Names and Synonyms

Name of Substance

  • Disodium 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulfonate

Synonyms

  • 3-((2-(2-Cyclohexylphenoxy)phenyl)azo)-4-hydroxy-5-benzamidonaphthalene-2,7-disulfonic acid, sodium salt
  • EINECS 276-890-1
  • UNII-17S7Z9OU85

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxy-, disodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(2-(2-cyclohexylphenoxy)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:2)
  • Disodium 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulphonate

Superlist Name

  • 2,7,-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-{{2-(2-cyclohexylphenoxy)phenyl}azo}-4-hydroxy-, sodium salt (1:2)

Registry Numbers

CAS Registry Number

  • 72828-83-2

FDA UNII

  • 17S7Z9OU85

System Generated Number

  • 0072828832

Molecular Formulas

Molecular Formula

  • C35-H31-N3-O9-S2.2Na

Molecular Formula Fragments

  • C35-H31-N3-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H31N3O9S2.2Na/c39-34-32-24(19-25(48(41,42)43)21-28(32)36-35(40)23-13-5-2-6-14-23)20-31(49(44,45)46)33(34)38-37-27-16-8-10-18-30(27)47-29-17-9-7-15-26(29)22-11-3-1-4-12-22;;/h2,5-10,13-22,39H,1,3-4,11-12H2,(H,36,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b38-37+;;

InChIKey

KQTYMFGDOQCFRT-XPPIURIRSA-L

Smiles

[Na+].[Na+].c1c(c(c(c2c(cc(cc12)S(=O)(=O)[O-])NC(c1ccccc1)=O)O)\N=N\c1c(cccc1)Oc1c(cccc1)C1CCCCC1)S(=O)(=O)[O-]