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Substance Name: 2,2'-((2-Sulpho-p-phenylene)bis(imino(1-acetyl-2-oxoethylene)azo-p-phenylene))bis(6-methylbenzothiazole-7-sulphonic) acid, sodium salt
RN: 83763-67-1
InChIKey: LNEBPFHRVAIORE-SEVTXUPASA-N

Molecular Formula

  • C42-H34-N8-O13-S5.x-Na

Molecular Weight

  • 1042.0936
 
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Names and Synonyms

Synonym

  • EINECS 280-755-2

Systematic Name

  • 2,2'-((2-Sulpho-p-phenylene)bis(imino(1-acetyl-2-oxoethylene)azo-p-phenylene))bis(6-methylbenzothiazole-7-sulphonic) acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83763-67-1

System Generated Number

  • 0083763671

Molecular Formulas

Molecular Formula

  • C42-H34-N8-O13-S5.x-Na

Molecular Formula Fragments

  • C42-H34-N8-O13-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H34N8O13S5.Na/c1-20-5-16-30-35(37(20)67(58,59)60)64-41(45-30)24-7-11-26(12-8-24)47-49-33(22(3)51)39(53)43-28-15-18-29(32(19-28)66(55,56)57)44-40(54)34(23(4)52)50-48-27-13-9-25(10-14-27)42-46-31-17-6-21(2)38(36(31)65-42)68(61,62)63;/h5-19,33-34H,1-4H3,(H,43,53)(H,44,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);/q;+1/b49-47+,50-48+;

InChIKey

LNEBPFHRVAIORE-SEVTXUPASA-N

Smiles

Cc1ccc2c(c1S(=O)(=O)O)sc(n2)c3ccc(cc3)/N=N/C(C(=O)C)C(=O)Nc4ccc(c(c4)S(=O)(=O)O)NC(=O)C(C(=O)C)/N=N/c5ccc(cc5)c6nc7ccc(c(c7s6)S(=O)(=O)O)C.[Na+]