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Substance Name: EINECS 304-584-0
RN: 94276-99-0
InChIKey: VBPANTBQTBMPKM-QQADXFIWSA-I

Molecular Formula

  • C48-H39-N13-O15-S3.5Na

Molecular Weight

  • 1244.0206
 
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Names and Synonyms

Results Name

  • EINECS 304-584-0

Synonym

  • EINECS 304-584-0

Systematic Name

  • Glycine, N-(3-amino-4-((7-((4-((4-((7-((2-amino-4-((carboxymethyl)amino)phenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-8-hydroxy-6-sulfo-2-naphthalenyl)azo)phenyl)-, pentasodium salt

Registry Numbers

CAS Registry Number

  • 94276-99-0

System Generated Number

  • 0094276990

Molecular Formulas

Molecular Formula

  • C48-H39-N13-O15-S3.5Na

Molecular Formula Fragments

  • C48-H39-N13-O15-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C48H39N13O15S3.5Na/c49-35-19-28(51-22-43(62)63)9-12-37(35)58-55-30-3-1-24-15-41(78(71,72)73)45(47(66)33(24)17-30)60-54-27-7-5-26(6-8-27)53-39-14-11-32(21-40(39)77(68,69)70)57-61-46-42(79(74,75)76)16-25-2-4-31(18-34(25)48(46)67)56-59-38-13-10-29(20-36(38)50)52-23-44(64)65;;;;;/h1-21,51-53,66-67H,22-23,49-50H2,(H,62,63)(H,64,65)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;/q;5*+1/p-5/b58-55+,59-56+,60-54+,61-57+;;;;;

InChIKey

VBPANTBQTBMPKM-QQADXFIWSA-I

Smiles

c1cc(ccc1Nc2ccc(cc2S(=O)(=O)[O-])/N=N/c3c(cc4ccc(cc4c3O)/N=N/c5ccc(cc5N)NCC(=O)[O-])S(=O)(=O)[O-])/N=N/c6c(cc7ccc(cc7c6O)/N=N/c8ccc(cc8N)NCC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]