(1E,4E)-N-Benzyl-4-[{4-[Benzyl(Ethyl)Amino]Phenyl}(5-Hydroxy-2,4-Disulfophenyl)Methylene]-N-Ethyl-2,5-Cyclohexadien-1-Iminium

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Properties Simple | Detailed

Formula C37H37N2O7S2+
IUPAC Name benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-[5-hydroxy-2,4-bis(hydroxysulfonyl)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-ethyl-ammonium
Molecular Mass 685.829 g·mol−1
Heat of Formation 5125.7 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 675.38 Å 3
Surface Area 610.31 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -2.70 ± eV
Point Group Symmetry C1
Synonyms
  • acid leather blue a
  • acidal carmine blue a
  • amacid blue a
  • benzenemethanaminium, n-ethyl-n-(4-((4-(ethyl(phenylmethyl)amino)phenyl)(5-hydroxy-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-, hydroxide, inner salt, calcium salt (2:1) (9ci)
  • benzenemethanaminium, n-ethyl-n-(4-((4-(ethyl(phenylmethyl)amino)phenyl)(5-hydroxy-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-, inner salt, calcium salt (2:1)
  • benzenemethanaminium, n-ethyl-n-[4-[[4-[ethyl(phenylmethyl)amino]phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-, hydroxide, inner salt, calcium salt (2:1)
  • benzyl-[4-[[4-(benzyl-ethyl-amino)phenyl]-(5-hydroxy-2,4-disulfo-phenyl)methylene]-1-cyclohexa-2,5-dienylidene]-ethyl-ammonium
  • c.i. 42052
  • c.i. 42052 (ca salt)
  • c.i. 42052 (ca salt) (van)
  • c.i. acid blue 5
  • c.i. acid blue 5 (van)
  • c.i. acid blue 5, calcium salt (2:1)
  • c.i. acid blue 5, calcium salt (2:1) (8ci)
  • carmine blue a
  • d and c blue no. 7
  • d&c blue no. 8
  • dihydrogen bis((benzyl)(4-((4-(benzylethylamino)phenyl)(5-hydroxy-2,4-disulphonatophenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonium), calcium salt
  • disulphine blue a
  • disulphine lake blue a
  • ethyl-[4-[[4-(ethyl-(phenylmethyl)amino)phenyl]-(5-hydroxy-2,4-disulfo-phenyl)methylene]-1-cyclohexa-2,5-dienylidene]-(phenylmethyl)ammonium
  • ethyl-[4-[[4-(ethyl-(phenylmethyl)amino)phenyl]-(5-hydroxy-2,4-disulfo-phenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-(phenylmethyl)azanium
  • ethyl-[4-[[4-(ethyl-(phenylmethyl)amino)phenyl]-(5-hydroxy-2,4-disulfophenyl)methylene]-1-cyclohexa-2,5-dienylidene]-(phenylmethyl)ammonium
  • merantine blue a
  • mitsui acid pure blue ax
  • no. 2060/15 blue extra
  • patent blue a (van)
  • patent blue ca
  • vondacid blue a
  • vulcol blue vz
CAS Number(s)
  • 3374-30-9
  • 32326-97-9
InChIKey HKTCVYHTGCMMTJ-UHFFFAOYSA-O
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