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Substance Name: Benzoic acid, 3,3'-((2,5-dimethyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl))bis(4-methyl-, 1,1'-bis(2-chloroethyl) ester
RN: 68259-05-2
InChIKey: POKDDGKLRIMTKL-NCCSDIRBSA-N

Molecular Formula

  • C50-H42-Cl2-N6-O8

Molecular Weight

  • 925.822
 
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Names and Synonyms

Synonyms

  • EC 269-507-4
  • EINECS 269-507-4

Systematic Names

  • Benzoic acid, 3,3'-((2,5-dimethyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl))bis(4-methyl-, 1,1'-bis(2-chloroethyl) ester
  • Benzoic acid, 3,3'-((2,5-dimethyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo))bis(4-methyl-, bis(2-chloroethyl) ester
  • Bis(2-chloroethyl) 3,3'-((2,5-dimethyl-p-phenylene)bis(iminocarbonyl(2-hydroxy-1,3-naphthylene)azo))di-p-toluate

Registry Numbers

CAS Registry Number

  • 68259-05-2

Other Registry Number

  • 57971-99-0

System Generated Number

  • 0068259052

Structure Descriptors

InChI

1S/C50H42Cl2N6O8/c1-27-16-17-33(49(63)65-20-18-51)26-41(27)55-57-43-34-13-7-5-11-31(34)24-37(45(43)59)47(61)53-39-22-30(4)40(23-29(39)3)54-48(62)38-25-32-12-6-8-14-35(32)44(46(38)60)58-56-42-28(2)10-9-15-36(42)50(64)66-21-19-52/h5-17,22-26,59-60H,18-21H2,1-4H3,(H,53,61)(H,54,62)/b57-55+,58-56+

InChIKey

POKDDGKLRIMTKL-NCCSDIRBSA-N

Smiles

c1(c(cccc1C(OCCCl)=O)C)\N=N\c1c2c(cc(C(Nc3c(cc(c(c3)C)NC(c3c(O)c(\N=N\c4c(ccc(c4)C(OCCCl)=O)C)c4ccccc4c3)=O)C)=O)c1O)cccc2