3,3'-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methylene]Bis(6-Hydroxy-5-Methylbenzoic Acid)

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Properties Simple | Detailed

Formula C25H20O9
IUPAC Name 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-3-methyl-benzoic acid
Molecular Mass 464.421 g·mol−1
Heat of Formation -1416.0 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 513.28 Å 3
Surface Area 440.21 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-4-keto-5-methyl-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxy-3-methyl-benzoic acid
  • 5-[(3-carboxy-4-hydroxy-5-methyl-phenyl)-(3-carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxy-3-methyl-benzoic acid
  • 5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(3-carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxy-3-methylbenzoic acid
  • azochromol geranol b
  • benzoic acid, 5-((3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-2-hydroxy-3-methyl-
  • benzoic acid, 5-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-3-methyl-
  • c.i. 43865
  • c.i. mordant violet 16
  • c.i. mordantviolet 16
  • c.i.43865
  • chrome brilliant violet ecr
  • chromoxane violet r
  • eriochrome geranol r
  • mitsui chrome brilliant violet 5r
  • omega chrome violet r
  • sunchromine brilliant violet 6r
  • trimethylaurintricarboxylic acid
  • ultra brilliant violet r
CAS Number(s)
  • 2947-64-0
InChIKey HNIYZPOKRGNVEA-UHFFFAOYSA-N
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