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Substance Name: EINECS 300-727-6
RN: 93962-87-9
InChIKey: XFBUDAQRFDPHID-HKWPNYIVSA-H

Molecular Formula

  • C54-H28-Cl2-Cr2-N14-O18-S4.2H

Molecular Weight

  • 1466.073
 
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Names and Synonyms

Results Name

  • EINECS 300-727-6

Synonym

  • EINECS 300-727-6

Systematic Name

  • Dihydrogen (mu-((2,2'-(vinylenebis((3-sulpho-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3-sulphonaphthalene-6,2-diyl)azo))bis(benzoato))(8-)))dichromate(2-)

Registry Numbers

CAS Registry Number

  • 93962-87-9

System Generated Number

  • 0093962879

Molecular Formulas

Molecular Formula

  • C54-H28-Cl2-Cr2-N14-O18-S4.2H

Molecular Formula Fragments

  • C54-H28-Cl2-Cr2-N14-O18-S4
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C54H36Cl2N14O18S4.2Cr/c55-49-61-51(65-53(63-49)59-43-41(91(83,84)85)21-27-19-31(15-17-33(27)45(43)71)67-69-37-7-3-1-5-35(37)47(73)74)57-29-13-11-25(39(23-29)89(77,78)79)9-10-26-12-14-30(24-40(26)90(80,81)82)58-52-62-50(56)64-54(66-52)60-44-42(92(86,87)88)22-28-20-32(16-18-34(28)46(44)72)68-70-38-8-4-2-6-36(38)48(75)76;;/h1-24,71-72H,(H,73,74)(H,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H2,57,59,61,63,65)(H2,58,60,62,64,66);;/q;2*+3/p-6/b10-9+,69-67+,70-68+;;

InChIKey

XFBUDAQRFDPHID-HKWPNYIVSA-H

Smiles

Clc1nc2Nc3ccc(\C=C\c4ccc5Nc6nc(Cl)nc(Nc7c8O[Cr-]9(OC(=O)c%10ccccc%10N=Nc%11ccc8c(c%11)cc7S(=O)(=O)O9)OS(=O)(=O)c4c5)n6)c(c3)S(=O)(=O)O[Cr-]%12%13OC(=O)c%14ccccc%14N=Nc%15ccc%16c(O%12)c(Nc(n1)n2)c(cc%16c%15)S(=O)(=O)O%13