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Substance Name: Acid red 163
RN: 13421-53-9
UNII: JUA3Q83L2E
InChIKey: DLMKCDGEDBPAFO-YSCUHTNISA-L

Molecular Formula

  • C44-H36-N4-O12-S3.2Na

Molecular Weight

  • 952.9466
 
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Names and Synonyms

Name of Substance

  • 2-Naphthalenesulfonic acid, 4,6-dihydroxy-3-((4-(1-(4-((1-hydroxy-7-((phenylsulfonyl)oxy)-3-s- ulfo-2-naphthalenyl)azo)phenyl)cyclohexyl)phenyl)azo)-, disodium salt
  • 4,6-Dihydroxy-3-((4-(1-(4-((1-hydroxy-7-((phenylsulfonyl)oxy)-3-s- ulfo-2-naphthalenyl)azo)phenyl)cyclohexyl)phenyl)azo)-2-naphthale- nesulfonic acid, disodium salt
  • Acid red 163
  • CI 24790

Synonyms

  • EINECS 236-531-1
  • UNII-JUA3Q83L2E

Systematic Name

  • Disodium 4,6-dihydroxy-3-((4-(1-(4-((1-hydroxy-7-((phenylsulphonyl)oxy)-3-sulphonato-2-naphthyl)azo)phenyl)cyclohexyl)phenyl)azo)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 13421-53-9

FDA UNII

  • JUA3Q83L2E

System Generated Number

  • 0013421539

Molecular Formulas

Molecular Formula

  • C44-H36-N4-O12-S3.2Na

Molecular Formula Fragments

  • C44-H36-N4-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H36N4O12S3.2Na/c49-33-19-9-27-23-38(61(52,53)54)40(42(50)36(27)25-33)47-45-31-15-11-29(12-16-31)44(21-5-2-6-22-44)30-13-17-32(18-14-30)46-48-41-39(62(55,56)57)24-28-10-20-34(26-37(28)43(41)51)60-63(58,59)35-7-3-1-4-8-35;;/h1,3-4,7-20,23-26,49-51H,2,5-6,21-22H2,(H,52,53,54)(H,55,56,57);;/q;2*+1/p-2/b47-45+,48-46+;;

InChIKey

DLMKCDGEDBPAFO-YSCUHTNISA-L

Smiles

c1ccc(cc1)S(=O)(=O)Oc2ccc3cc(c(c(c3c2)O)/N=N/c4ccc(cc4)C5(CCCCC5)c6ccc(cc6)/N=N/c7c(cc8ccc(cc8c7O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]