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Substance Name: EINECS 273-662-3
RN: 68991-98-0
InChIKey: BKAVGOZWVVRCFE-GMDADJJSSA-N

Molecular Formula

  • C50-H44-Cl2-N18-O24-S6.6Na

Molecular Weight

  • 1544.3016
 
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Names and Synonyms

Results Name

  • EINECS 273-662-3

Synonym

  • EINECS 273-662-3

Systematic Names

  • 1,3-Benzenedisulfonic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(6-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-, hexasodium salt
  • 1,3-Benzenedisulfonic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(6-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-, sodium salt (1:6)

Registry Numbers

CAS Registry Number

  • 68991-98-0

System Generated Number

  • 0068991980

Molecular Formulas

Molecular Formula

  • C50-H44-Cl2-N18-O24-S6.6Na

Molecular Formula Fragments

  • C50-H44-Cl2-N18-O24-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C50H44Cl2N18O24S6/c1-5-69-41(73)35(39(53)71)19(3)37(43(69)75)67-65-27-15-25(31(97(83,84)85)17-33(27)99(89,90)91)57-49-61-45(51)59-47(63-49)55-23-11-9-21(29(13-23)95(77,78)79)7-8-22-10-12-24(14-30(22)96(80,81)82)56-48-60-46(52)62-50(64-48)58-26-16-28(34(100(92,93)94)18-32(26)98(86,87)88)66-68-38-20(4)36(40(54)72)42(74)70(6-2)44(38)76/h7-18,75-76H,5-6H2,1-4H3,(H2,53,71)(H2,54,72)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64)/b8-7?,67-65+,68-66+

InChIKey

BKAVGOZWVVRCFE-GMDADJJSSA-N

Smiles

CCN1C(=C(N=Nc2cc(Nc3nc(Cl)nc(Nc4ccc(\C=C\c5ccc(Nc6nc(Cl)nc(Nc7cc(N=NC8=C(O)N(CC)C(=O)C(=C8C)C(=O)N)c(cc7S(=O)(=O)O)S(=O)(=O)O)n6)cc5S(=O)(=O)O)c(c4)S(=O)(=O)O)n3)c(cc2S(=O)(=O)O)S(=O)(=O)O)C(=C(C(=O)N)C1=O)C)O