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Substance Name: 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-, ammonium sodium salt (1:?:?)
RN: 70851-42-2
InChIKey: BTKPXOSUNNUFCY-UHFFFAOYSA-M

Molecular Formula

  • C48-H32-Cl4-N14-O26-P2-S6.x-H3-N.x-Na

Molecular Weight

  • 1656.02
 
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Names and Synonyms

Synonym

  • EINECS 274-930-2

Systematic Names

  • 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-, ammonium sodium salt
  • 4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-, ammonium sodium salt (1:?:?)
  • 6,13-Dichloro-3,10-bis((4-((4-chloro-6-((3-phosphonophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulphophenyl)amino)-4,11-triphenodioxazinedisulphonic acid, ammonium sodium salt

Registry Numbers

CAS Registry Number

  • 70851-42-2

System Generated Number

  • 0070851422

Molecular Formulas

Molecular Formula

  • C48-H32-Cl4-N14-O26-P2-S6.x-H3-N.x-Na

Molecular Formula Fragments

  • C48-H32-Cl4-N14-O26-P2-S6
  • COMPONENT
  • H3-N
  • Na

Structure Descriptors

InChI

1S/C48H32Cl4N14O26P2S6.H3N.Na/c49-35-38-41(92-39-21(57-38)7-8-22(42(39)100(88,89)90)55-25-12-32(97(79,80)81)27(14-30(25)95(73,74)75)59-47-63-43(51)61-45(65-47)53-17-3-1-5-19(9-17)93(67,68)69)36(50)37-40(35)91-29-16-34(99(85,86)87)24(11-23(29)58-37)56-26-13-33(98(82,83)84)28(15-31(26)96(76,77)78)60-48-64-44(52)62-46(66-48)54-18-4-2-6-20(10-18)94(70,71)72;;/h1-16,55-56H,(H2,67,68,69)(H2,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H2,53,59,61,63,65)(H2,54,60,62,64,66);1H3;/q;;+1/p-1

InChIKey

BTKPXOSUNNUFCY-UHFFFAOYSA-M

Smiles

[NH4+].[Na+].[O-]S(c1cc2c(cc1Nc1c(cc(Nc3nc(nc(n3)Nc3cccc(c3)P(=O)(O)O)Cl)c(c1)S(O)(=O)=O)S(=O)(O)=O)N=c1c(O2)c(c=2c(c1Cl)Oc1c(N2)ccc(Nc2c(cc(Nc3nc(Nc4cccc(c4)P(=O)(O)O)nc(Cl)n3)c(c2)S(O)(=O)=O)S(=O)(O)=O)c1S([O-])(=O)=O)Cl)(=O)=O