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Substance Name: Benzoxazolium, 2-(3-(1-(3-(acetyloxy)propyl)-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-5,6-dimethyl-, iodide (1:1)
RN: 83588-60-7
InChIKey: AGKIGZZZVMDQOJ-UHFFFAOYSA-M

Molecular Formula

  • C28-H32-Cl2-N3-O3.I

Molecular Weight

  • 656.3848
 
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Names and Synonyms

Synonym

  • 5,6-Dichloro-2-(3-(5,6-dimethyl-3-ethyl-2-benzoxazolinylidene)propenyl)-1-(3-acetoxypropyl)-3-ethylbenzimidazolium iodide

Systematic Names

  • Benzoxazolium, 2-(3-(1-(3-(acetyloxy)propyl)-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-5,6-dimethyl-, iodide (1:1)
  • Benzoxazolium, 2-(3-(1-(3-(acetyloxy)propyl)-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-5,6-dimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 83588-60-7

System Generated Number

  • 0083588607

Molecular Formulas

Molecular Formula

  • C28-H32-Cl2-N3-O3.I

Molecular Formula Fragments

  • C28-H32-Cl2-N3-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C28H32Cl2N3O3.HI/c1-6-31-23-16-21(29)22(30)17-24(23)33(12-9-13-35-20(5)34)27(31)10-8-11-28-32(7-2)25-14-18(3)19(4)15-26(25)36-28;/h8,10-11,14-17H,6-7,9,12-13H2,1-5H3;1H/q+1;/p-1

InChIKey

AGKIGZZZVMDQOJ-UHFFFAOYSA-M

Smiles

CC[n+]1c2cc(c(cc2oc1/C=C\C=C/3\N(c4cc(c(cc4N3CCCOC(=O)C)Cl)Cl)CC)C)C.[I-]