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Substance Name: 4,4'-((4-Sulpho-1,3-phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonic) acid
RN: 94022-68-1
InChIKey: DAEROLLVXIFFNX-YGZNCWGHSA-N

Molecular Formula

  • C44-H30-Cl2-N14-O17-S5

Molecular Weight

  • 1258.038
 
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Names and Synonyms

Synonym

  • EINECS 301-566-4

Systematic Name

  • 4,4'-((4-Sulpho-1,3-phenylene)bis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonic) acid

Registry Numbers

CAS Registry Number

  • 94022-68-1

System Generated Number

  • 0094022681

Structure Descriptors

InChI

1S/C44H30Cl2N14O17S5/c45-39-51-41(55-43(53-39)49-28-18-25(78(63,64)65)13-20-15-31(81(72,73)74)35(37(61)33(20)28)59-57-22-7-3-1-4-8-22)47-24-11-12-30(80(69,70)71)27(17-24)48-42-52-40(46)54-44(56-42)50-29-19-26(79(66,67)68)14-21-16-32(82(75,76)77)36(38(62)34(21)29)60-58-23-9-5-2-6-10-23/h1-19,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H2,47,49,51,53,55)(H2,48,50,52,54,56)/b59-57+,60-58+

InChIKey

DAEROLLVXIFFNX-YGZNCWGHSA-N

Smiles

c1ccc(cc1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)Cl)Nc5ccc(c(c5)Nc6nc(nc(n6)Cl)Nc7cc(cc8c7c(c(c(c8)S(=O)(=O)O)/N=N/c9ccccc9)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O