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Substance Name: Diphenaleno(1,9-ab:1',9'-lm)triphenodioxazine-1,3,12,14-tetrasulfonic acid, 8,19-dichloro-, sodium salt (1:4)
RN: 3599-20-0
InChIKey: XSUMDEYVLZIXOH-UHFFFAOYSA-J

Molecular Formula

  • C38-H16-Cl2-N2-O14-S4.4Na

Molecular Weight

  • 1011.6428
 
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Names and Synonyms

  • Diphenaleno(1,9-ab:1',9'-lm)triphenodioxazine-1,3,12,14-tetrasulfonic acid, 8,19-dichloro-, sodium salt (1:4)
  • Diphenaleno(1,9-ab:1',9'-lm)triphenodioxazine-1,3,12,14-tetrasulfonic acid, 8,19-dichloro-, tetrasodium salt

Registry Numbers

CAS Registry Number

  • 3599-20-0

System Generated Number

  • 0003599200

Molecular Formulas

Molecular Formula

  • C38-H16-Cl2-N2-O14-S4.4Na

Molecular Formula Fragments

  • C38-H16-Cl2-N2-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H16Cl2N2O14S4.4Na/c39-31-36-38(56-22-10-14-2-4-16-24(58(46,47)48)12-26(60(52,53)54)18-6-8-20(34(22)42-36)28(14)30(16)18)32(40)35-37(31)55-21-9-13-1-3-15-23(57(43,44)45)11-25(59(49,50)51)17-5-7-19(33(21)41-35)27(13)29(15)17;;;;/h1-12H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

InChIKey

XSUMDEYVLZIXOH-UHFFFAOYSA-J

Smiles

c12c(=Nc3c(O2)cc2c4c3ccc3c4c(c(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])cc2)c(c2c(=Nc3c(O2)cc2c4c3ccc3c4c(c(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])cc2)c1Cl)Cl.[Na+].[Na+].[Na+].[Na+]