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Substance Name: EINECS 260-603-1
RN: 57167-02-9
InChIKey: LREDBJJBTDPNPN-BAIUWHEOSA-K

Molecular Formula

  • C46-H36-N10-O13-S3.x-Na

Molecular Weight

  • 1098.9917
 
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Names and Synonyms

Results Name

  • EINECS 260-603-1

Synonym

  • EINECS 260-603-1

Systematic Name

  • 2,7-Naphthalenedisulfonic acid, 5-((2-amino-4-hydroxyphenyl)azo)-3-((4'-((7-((2-amino-4-hydroxyphenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, sodium salt

Registry Numbers

CAS Registry Number

  • 57167-02-9

System Generated Number

  • 0057167029

Molecular Formulas

Molecular Formula

  • C46-H36-N10-O13-S3.x-Na

Molecular Formula Fragments

  • C46-H36-N10-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C46H36N10O13S3.3Na/c1-22-13-24(4-9-35(22)50-55-43-40(71(64,65)66)16-26-3-6-28(18-32(26)45(43)59)49-52-37-11-7-29(57)19-33(37)47)25-5-10-36(23(2)14-25)51-56-44-41(72(67,68)69)17-27-15-31(70(61,62)63)21-39(42(27)46(44)60)54-53-38-12-8-30(58)20-34(38)48;;;/h3-21,57-60H,47-48H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);;;/q;3*+1/p-3/b52-49+,54-53+,55-50+,56-51+;;;

InChIKey

LREDBJJBTDPNPN-BAIUWHEOSA-K

Smiles

Cc1cc(ccc1/N=N/c2c(cc3ccc(cc3c2O)/N=N/c4ccc(cc4N)O)S(=O)(=O)[O-])c5ccc(c(c5)C)/N=N/c6c(cc7cc(cc(c7c6O)/N=N/c8ccc(cc8N)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]