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Substance Name: Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, benzoate (1:1)
RN: 68310-88-3
InChIKey: ZOTHQGXDNAVWGD-SVFFXJIWSA-N

Molecular Formula

  • C20-H19-N3.C7-H6-O2

Molecular Weight

  • 423.513
 
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Names and Synonyms

Synonyms

  • C.I. Pigment Violet 4 (fugitive), benzoate
  • EINECS 269-742-2

Systematic Names

  • Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, benzoate (1:1)
  • Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-2-methyl-, monobenzoate
  • Benzoic acid, compound with 4-((4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl)-o-toluidine (1:1)

Registry Numbers

CAS Registry Number

  • 68310-88-3

System Generated Number

  • 0068310883

Molecular Formulas

Molecular Formula

  • C20-H19-N3.C7-H6-O2

Molecular Formula Fragments

  • C20-H19-N3
  • C7-H6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H19N3.C7H6O2/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;8-7(9)6-4-2-1-3-5-6/h2-12,21H,22-23H2,1H3;1-5H,(H,8,9)/b20-14-,21-17?;

InChIKey

ZOTHQGXDNAVWGD-SVFFXJIWSA-N

Smiles

c1c(cccc1)C(O)=O.N=C1C=C\C(C=C1)=C(\c1ccc(N)c(C)c1)c1ccc(N)cc1