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Substance Name: 1,4-Benzenedicarboxylic acid, 2,2'-((2,5-dimethyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl))bis-, 1,1',4,4'-tetrakis(1-methylethyl) ester
RN: 80648-58-4
InChIKey: LTUBIUJLEIJQCO-DOTBRBQPSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C58-H56-N6-O12

Molecular Weight

  • 1029.1104
 
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Names and Synonyms

  • 1,4-Benzenedicarboxylic acid, 2,2'-((2,5-dimethyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl))bis-, 1,1',4,4'-tetrakis(1-methylethyl) ester
  • 1,4-Benzenedicarboxylic acid, 2,2'-((2,5-dimethyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo))bis-, tetrakis(1-methylethyl) ester

Registry Numbers

CAS Registry Number

  • 80648-58-4

Other Registry Numbers

  • 211502-18-0
  • 320739-77-3

System Generated Number

  • 0080648584

Structure Descriptors

InChI

1S/C58H56N6O12/c1-29(2)73-55(69)37-19-21-41(57(71)75-31(5)6)47(27-37)61-63-49-39-17-13-11-15-35(39)25-43(51(49)65)53(67)59-45-23-34(10)46(24-33(45)9)60-54(68)44-26-36-16-12-14-18-40(36)50(52(44)66)64-62-48-28-38(56(70)74-30(3)4)20-22-42(48)58(72)76-32(7)8/h11-32,65-66H,1-10H3,(H,59,67)(H,60,68)/b63-61+,64-62+

InChIKey

LTUBIUJLEIJQCO-DOTBRBQPSA-N

Smiles

Cc1c(cc(c(c1)NC(=O)c2c(c(c3c(c2)cccc3)/N=N/c4c(ccc(c4)C(=O)OC(C)C)C(=O)OC(C)C)O)C)NC(=O)c5c(c(c6c(c5)cccc6)/N=N/c7c(ccc(c7)C(=O)OC(C)C)C(=O)OC(C)C)O