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Substance Name: Benzenesulfonic acid, 4,4'-(carbonylbis(imino(5-methoxy-2-methyl-4,1-phenylene)-2,1-diazenediyl))bis-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
RN: 72102-83-1
InChIKey: HGIYYDKVLLEAHE-DCQXEBMNSA-N

Molecular Formula

  • C29-H28-N6-O9-S2.2C6-H15-N-O3

Molecular Weight

  • 967.0822
 
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Names and Synonyms

Synonym

  • 4,4'-Carbonylbis(imino(5-methoxy-2-methyl-4,1-phenylene)azo))bisbenzenesulfonic acid, salt with 2,2',2''-nitrilotriethanol

Systematic Names

  • Benzenesulfonic acid, 4,4'-(carbonylbis(imino(5-methoxy-2-methyl-4,1-phenylene)-2,1-diazenediyl))bis-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
  • Benzenesulfonic acid, 4,4'-(carbonylbis(imino(5-methoxy-2-methyl-4,1-phenylene)azo))bis-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)

Registry Numbers

CAS Registry Number

  • 72102-83-1

System Generated Number

  • 0072102831

Molecular Formulas

Molecular Formula

  • C29-H28-N6-O9-S2.2C6-H15-N-O3

Molecular Formula Fragments

  • C29-H28-N6-O9-S2
  • C6-H15-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C29H28N6O9S2.2C6H15NO3/c1-17-13-25(27(43-3)15-23(17)34-32-19-5-9-21(10-6-19)45(37,38)39)30-29(36)31-26-14-18(2)24(16-28(26)44-4)35-33-20-7-11-22(12-8-20)46(40,41)42;2*8-4-1-7(2-5-9)3-6-10/h5-16H,1-4H3,(H2,30,31,36)(H,37,38,39)(H,40,41,42);2*8-10H,1-6H2/b34-32+,35-33+;;

InChIKey

HGIYYDKVLLEAHE-DCQXEBMNSA-N

Smiles

Cc1c(cc(c(c1)NC(=O)Nc2c(cc(c(c2)C)/N=N/c3ccc(cc3)S(=O)(=O)O)OC)OC)/N=N/c4ccc(cc4)S(=O)(=O)O.C(N(CCO)CCO)CO.C(N(CCO)CCO)CO