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Substance Name: 5,5'-(Vinylenebis((3-sulpho-p-phenylene)azo))bis(3-methylsalicylic) acid, potassium salt, compound with 2,2',2''-nitrilotriethanol
RN: 85269-31-4
InChIKey: KHAKPLCDWNHRPO-DIPNKKIBSA-N

Molecular Formula

  • C30-H24-N4-O12-S2.x-C6-H15-N-O3.x-K

Molecular Weight

  • 884.9541
 
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Names and Synonyms

Synonym

  • EINECS 286-555-1

Systematic Names

  • 5,5'-(Vinylenebis((3-sulpho-p-phenylene)azo))bis(3-methylsalicylic) acid, potassium salt, compound with 2,2',2''-nitrilotriethanol
  • Benzoic acid, 3,3'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)azo))bis(6-hydroxy-5-methyl-, potassium salt, compd. with 2,2',2''-nitrilotris(ethanol)

Registry Numbers

CAS Registry Number

  • 85269-31-4

System Generated Number

  • 0085269314

Molecular Formulas

Molecular Formula

  • C30-H24-N4-O12-S2.x-C6-H15-N-O3.x-K

Molecular Formula Fragments

  • C30-H24-N4-O12-S2
  • C6-H15-N-O3
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C30H24N4O12S2.C6H15NO3.K/c1-15-9-21(11-23(27(15)35)29(37)38)33-31-19-7-5-17(25(13-19)47(41,42)43)3-4-18-6-8-20(14-26(18)48(44,45)46)32-34-22-10-16(2)28(36)24(12-22)30(39)40;8-4-1-7(2-5-9)3-6-10;/h3-14,35-36H,1-2H3,(H,37,38)(H,39,40)(H,41,42,43)(H,44,45,46);8-10H,1-6H2;/q;;+1/b4-3+,33-31+,34-32+;;

InChIKey

KHAKPLCDWNHRPO-DIPNKKIBSA-N

Smiles

[K+].Cc1cc(cc(C(=O)O)c1O)N=Nc2ccc(\C=C\c3ccc(cc3S(=O)(=O)O)N=Nc4cc(C)c(O)c(c4)C(=O)O)c(c2)S(=O)(=O)O.OCCN(CCO)CCO