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Substance Name: Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(diethylamino)phenyl)methyl)-2-hydroxy-3-methyl-
RN: 7452-52-0
InChIKey: NLLQYOGZDSLZQG-HAVVHWLPSA-N

Molecular Formula

  • C27-H26-Cl-N-O6

Molecular Weight

  • 495.956
 
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Names and Synonyms

Synonym

  • EINECS 231-223-3

Systematic Names

  • 5-((3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(diethylamino)phenyl)methyl)-3-methylsalicylic acid
  • Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2-chloro-4-(diethylamino)phenyl)methyl)-2-hydroxy-3-methyl-

Registry Numbers

CAS Registry Number

  • 7452-52-0

System Generated Number

  • 0007452520

Structure Descriptors

InChI

1S/C27H26ClNO6/c1-5-29(6-2)18-7-8-19(22(28)13-18)23(16-9-14(3)24(30)20(11-16)26(32)33)17-10-15(4)25(31)21(12-17)27(34)35/h7-13,30H,5-6H2,1-4H3,(H,32,33)(H,34,35)/b23-17+

InChIKey

NLLQYOGZDSLZQG-HAVVHWLPSA-N

Smiles

c1c(C(=O)O)c(O)c(C)cc1\C(c1c(Cl)cc(N(CC)CC)cc1)=C1/C=C(C(=O)O)C(=O)C(C)=C1