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Substance Name: (4-(4-(Diethylamino)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium toluene-p-sulphonate
RN: 84962-82-3
InChIKey: OGAWMIDYXTWAHO-UHFFFAOYSA-N

Molecular Formula

  • C27-H33-N2.C7-H7-O3-S

Molecular Weight

  • 746.0009
 
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Names and Synonyms

Synonym

  • EINECS 284-782-0

Systematic Name

  • (4-(4-(Diethylamino)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium toluene-p-sulphonate

Registry Numbers

CAS Registry Number

  • 84962-82-3

System Generated Number

  • 0084962823

Molecular Formulas

Molecular Formula

  • C27-H33-N2.C7-H7-O3-S

Molecular Formula Fragments

  • C27-H33-N2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C27H35N3.2C7H8O3S/c1-3-30(4-2)25-12-10-23(11-13-25)26(22-8-6-5-7-9-22)24-14-16-27(17-15-24,18-20-28)19-21-29;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-17H,3-4,18-21,28-29H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

InChIKey

OGAWMIDYXTWAHO-UHFFFAOYSA-N

Smiles

C1(C=C/C(=C(\c2ccc(cc2)N(CC)CC)c2ccccc2)C=C1)(CC[NH3+])CC[NH3+].c1c(ccc(c1)C)S(=O)(=O)[O-].c1c(ccc(c1)C)S(=O)(=O)[O-]