2-[(E)-2-{(3E)-3-[(2E)-2-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-1,3-dihydro-2H-indol-2-ylidene}ethylidene]-1-cyclohexen-1-yl}vinyl]-1,3,3-trimethyl-3H-indolium chloride | CAS No. 1954687-62-7

2-[(E)-2-{(3E)-3-[(2E)-2-{3,3-Dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-1,3-dihydro-2H-indol-2-ylidene}ethylidene]-1-cyclohexen-1-yl}vinyl]-1,3,3-trimethyl-3H-indolium chloride

Basic Information

CAS Number

1954687-62-7

Molecular Formula

C40H48ClN3O

Molecular Weight

622.28 g/mol

AD

Basic Physical Properties

[Cl-].CC1(C)C2=CC=CC=C2N(CCCCCC(=O)NCC#C)/C/1=C/C=C1\CCCC(=C\1)C=CC1=[N+](C)C2=CC=CC=C2C1(C)C |t:33|

InChI

InChI=1S/C40H47N3O.ClH/c1-7-27-41-38(44)22-9-8-14-28-43-35-21-13-11-19-33(35)40(4,5)37(43)26-24-31-17-15-16-30(29-31)23-25-36-39(2,3)32-18-10-12-20-34(32)42(36)6;/h1,10-13,18-21,23-26,29H,8-9,14-17,22,27-28H2,2-6H3;1H

InChIKey

YTVUOGKCIKICCK-UHFFFAOYSA-N

Complexity

1260

Synonyms & References

English

  • Cyanine7 alkyne
  • 3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-2-((E)-2-((E)-3-(2-((E)-1,3,3-trimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3H-indol-1-ium chloride

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