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Substance Name: Benzoxazolium, 3-methyl-2-(2-((3-methyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-5-phenyl-, methyl sulfate (1:1)
RN: 33718-79-5
InChIKey: RBEPIPBRHUKJDR-UHFFFAOYSA-M

Molecular Formula

  • C33-H29-N2-O2.C-H3-O4-S

Molecular Weight

  • 596.701
 
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Names and Synonyms

Synonyms

  • 9-Ethyl-3,3'-dimethyl-5,5'-diphenyloxacarbocyanine, methylsulfate
  • EINECS 251-653-5

Systematic Names

  • Benzoxazolium, 3-methyl-2-(2-((3-methyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-5-phenyl-, methyl sulfate (1:1)
  • Benzoxazolium, 3-methyl-2-(2-((3-methyl-5-phenyl-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-5-phenyl-, methyl sulfate
  • Methyl 3-methyl-2-(2-((3-methyl-5-phenyl-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-5-phenylbenzoxazolium sulphate

Registry Numbers

CAS Registry Number

  • 33718-79-5

System Generated Number

  • 0033718795

Molecular Formulas

Molecular Formula

  • C33-H29-N2-O2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C33-H29-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C33H29N2O2.CH4O4S/c1-4-23(19-32-34(2)28-21-26(15-17-30(28)36-32)24-11-7-5-8-12-24)20-33-35(3)29-22-27(16-18-31(29)37-33)25-13-9-6-10-14-25;1-5-6(2,3)4/h5-22H,4H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

RBEPIPBRHUKJDR-UHFFFAOYSA-M

Smiles

C1(\N(C)c2c(O1)ccc(c1ccccc1)c2)=C/C(CC)=C\c1[n+](C)c2c(o1)ccc(c1ccccc1)c2.S(=O)(=O)([O-])OC