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Substance Name: Benzoic acid, 3,3'-((2-chloro-5-methyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl))bis(4-methyl-, 1,1'-bis(1-methylethyl) ester
RN: 71832-84-3
InChIKey: QUKNAAFVUHKXMH-NCCSDIRBSA-N

Molecular Formula

  • C51-H45-Cl-N6-O8

Molecular Weight

  • 905.4035
 
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Names and Synonyms

  • Benzoic acid, 3,3'-((2-chloro-5-methyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl))bis(4-methyl-, 1,1'-bis(1-methylethyl) ester
  • Benzoic acid, 3,3'-((2-chloro-5-methyl-1,4-phenylene)bis(iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)azo))bis(4-methyl-, bis(1-methylethyl) ester

Registry Numbers

CAS Registry Number

  • 71832-84-3

System Generated Number

  • 0071832843

Structure Descriptors

InChI

1S/C51H45ClN6O8/c1-26(2)65-50(63)33-18-16-28(5)41(23-33)55-57-44-35-14-10-8-12-31(35)21-37(46(44)59)48(61)53-40-25-39(52)43(20-30(40)7)54-49(62)38-22-32-13-9-11-15-36(32)45(47(38)60)58-56-42-24-34(19-17-29(42)6)51(64)66-27(3)4/h8-27,59-60H,1-7H3,(H,53,61)(H,54,62)/b57-55+,58-56+

InChIKey

QUKNAAFVUHKXMH-NCCSDIRBSA-N

Smiles

Cc1ccc(cc1/N=N/c2c3ccccc3cc(c2O)C(=O)Nc4cc(c(cc4Cl)NC(=O)c5cc6ccccc6c(c5O)/N=N/c7cc(ccc7C)C(=O)OC(C)C)C)C(=O)OC(C)C