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Substance Name: Th 40
RN: 32694-95-4
InChIKey: OFFPXUUNBQIOQV-QDBORUFSSA-L

Molecular Formula

  • C38-H40-N12-O8-S2.2Na

Molecular Weight

  • 900.906
 
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Names and Synonyms

Results Name

  • Th 40

Synonyms

  • 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-((2-hydroxypropyl)amino)-s-triazin-2-yl)amino-, disodium salt
  • EINECS 251-161-0
  • Sandoz TH 40

Systematic Names

  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxypropyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, disodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxypropyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
  • Disodium 4,4'-bis((6-anilino-4-((2-hydroxypropyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 32694-95-4

System Generated Number

  • 0032694954

Molecular Formulas

Molecular Formula

  • C38-H40-N12-O8-S2.2Na

Molecular Formula Fragments

  • C38-H40-N12-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H40N12O8S2.2Na/c1-23(51)21-39-33-45-35(41-27-9-5-3-6-10-27)49-37(47-33)43-29-17-15-25(31(19-29)59(53,54)55)13-14-26-16-18-30(20-32(26)60(56,57)58)44-38-48-34(40-22-24(2)52)46-36(50-38)42-28-11-7-4-8-12-28;;/h3-20,23-24,51-52H,21-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H3,39,41,43,45,47,49)(H3,40,42,44,46,48,50);;/q;2*+1/p-2/b14-13+;;

InChIKey

OFFPXUUNBQIOQV-QDBORUFSSA-L

Smiles

[Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)NC[C@@H](C)O)Nc1ccccc1)S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)NC[C@@H](C)O)Nc1ccccc1)S(=O)(=O)[O-]