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Substance Name: Tetrasodium 5,5'-(m-phenylenebis(azo(4,6-diamino-m-phenylene)azo(6(or 7)-sulphonato-1,4-naphthylene)azo-p-phenyleneiminocarbonyl-p-phenyleneazo))disalicylate
RN: 85798-67-0
InChIKey: QSPYCAGCACRZKX-OJIDFULLSA-J

Molecular Formula

  • C78-H56-N22-O14-S2.4Na

Molecular Weight

  • 1677.5008
 
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Names and Synonyms

Synonym

  • EINECS 288-593-4

Systematic Name

  • Tetrasodium 5,5'-(m-phenylenebis(azo(4,6-diamino-m-phenylene)azo(6(or 7)-sulphonato-1,4-naphthylene)azo-p-phenyleneiminocarbonyl-p-phenyleneazo))disalicylate

Registry Numbers

CAS Registry Number

  • 85798-67-0

System Generated Number

  • 0085798670

Molecular Formulas

Molecular Formula

  • C78-H56-N22-O14-S2.4Na

Molecular Formula Fragments

  • C78-H56-N22-O14-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C78H56N22O14S2.4Na/c79-61-37-63(81)71(99-95-67-28-26-65(55-24-22-53(35-57(55)67)115(109,110)111)93-87-47-16-12-43(13-17-47)83-75(103)41-4-8-45(9-5-41)85-89-51-20-30-73(101)59(33-51)77(105)106)39-69(61)97-91-49-2-1-3-50(32-49)92-98-70-40-72(64(82)38-62(70)80)100-96-68-29-27-66(56-25-23-54(36-58(56)68)116(112,113)114)94-88-48-18-14-44(15-19-48)84-76(104)42-6-10-46(11-7-42)86-90-52-21-31-74(102)60(34-52)78(107)108;;;;/h1-40,101-102H,79-82H2,(H,83,103)(H,84,104)(H,105,106)(H,107,108)(H,109,110,111)(H,112,113,114);;;;/q;4*+1/p-4/b89-85+,90-86+,93-87+,94-88+,97-91+,98-92+,99-95+,100-96+;;;;

InChIKey

QSPYCAGCACRZKX-OJIDFULLSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].c1(C(=O)[O-])c(ccc(/N=N/c2ccc(C(=O)Nc3ccc(/N=N/c4c5c(cc(S(=O)(=O)[O-])cc5)c(/N=N/c5cc(c(cc5N)N)/N=N/c5cc(/N=N/c6cc(/N=N/c7c8cc(S(=O)(=O)[O-])ccc8c(/N=N/c8ccc(NC(=O)c9ccc(/N=N/c%10cc(C(=O)[O-])c(cc%10)O)cc9)cc8)cc7)c(cc6N)N)ccc5)cc4)cc3)cc2)c1)O