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Substance Name: Reactive red 120 dye
RN: 61951-82-4
InChIKey: OVSNDJXCFPSPDZ-YGZNCWGHSA-N

Note

  • Used in dye ligand chromatography.

Molecular Formula

  • C44-H30-Cl2-N14-O20-S6

Molecular Weight

  • 1338.1
 
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Names and Synonyms

Name of Substance

  • Reactive red 120 dye

Synonym

  • EINECS 263-351-0

Systematic Name

  • 4,4'-(1,4-Phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid)

Registry Numbers

CAS Registry Number

  • 61951-82-4

System Generated Number

  • 0061951824

Structure Descriptors

InChI

1S/C44H30Cl2N14O20S6/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56)/b59-57+,60-58+

InChIKey

OVSNDJXCFPSPDZ-YGZNCWGHSA-N

Smiles

c1(c(c(O)c2c(c1)cc(S(=O)(=O)O)cc2Nc1nc(Nc2ccc(Nc3nc(Nc4c5c(c(\N=N\c6c(S(=O)(=O)O)cccc6)c(cc5cc(S(=O)(=O)O)c4)S(=O)(=O)O)O)nc(n3)Cl)cc2)nc(n1)Cl)\N=N\c1c(S(=O)(=O)O)cccc1)S(=O)(=O)O