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Substance Name: EINECS 268-725-7
RN: 68134-04-3
InChIKey: FQEXKEFXEHRZMD-MOBNGVKNSA-I

Molecular Formula

  • C52-H50-N14-O20-S6.6Na

Molecular Weight

  • 1493.35
 
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Names and Synonyms

Results Name

  • EINECS 268-725-7

Synonym

  • EINECS 268-725-7

Systematic Names

  • 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-amino-3-oxopropyl)(phenylmethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium salt
  • 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-((3-amino-3-oxopropyl)(phenylmethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6)
  • Hexasodium 2,2'-(vinylenebis((3-sulphonato-4,1-phenylene)imino(6-((3-amino-3-oxopropyl)(phenylmethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis(benzene-1,4-disulphonate)

Registry Numbers

CAS Registry Number

  • 68134-04-3

System Generated Number

  • 0068134043

Molecular Formulas

Molecular Formula

  • C52-H50-N14-O20-S6.6Na

Molecular Formula Fragments

  • C52-H50-N14-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C52H50N14O20S6.5Na/c53-45(67)21-23-65(29-31-7-3-1-4-8-31)51-61-47(59-49(63-51)57-39-27-37(87(69,70)71)17-19-41(39)89(75,76)77)55-35-15-13-33(43(25-35)91(81,82)83)11-12-34-14-16-36(26-44(34)92(84,85)86)56-48-60-50(58-40-28-38(88(72,73)74)18-20-42(40)90(78,79)80)64-52(62-48)66(24-22-46(54)68)30-32-9-5-2-6-10-32;;;;;/h1-20,25-28H,21-24,29-30H2,(H2,53,67)(H2,54,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;/q;5*+1/p-5/b12-11+;;;;;

InChIKey

FQEXKEFXEHRZMD-MOBNGVKNSA-I

Smiles

S(c1c(Nc2nc(N(CCC(=O)N)Cc3ccccc3)nc(n2)Nc2cc(S(=O)(=O)[O-])c(\C=C\c3c(S(=O)(=O)[O-])cc(Nc4nc(N(CCC(=O)N)Cc5ccccc5)nc(n4)Nc4c(S(=O)(=O)[O-])ccc(S(=O)(=O)[O-])c4)cc3)cc2)cc(S(=O)(=O)O)cc1)(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]