IR 780

CAS Registry Number®

207399-07-3

CAS Name

IR 780

Molecular Formula

C36H44ClN2.I

Cite this Page

IR 780.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=207399-07-3 (retrieved 2024-11-26) (CAS RN: 207399-07-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H44ClN2.HI/c1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;/h9-12,16-23H,7-8,13-15,24-25H2,1-6H3;1H/q+1;/p-1

InChIKey

InChIKey=IRPKBYJYVJOQHQ-UHFFFAOYSA-M

SMILES

C(CC)N1C=2C(C(C)(C)C1=CC=C3C(Cl)=C(C=CC4=[N+](CCC)C=5C(C4(C)C)=CC=CC5)CCC3)=CC=CC2.[I-]

Canonical SMILES

[I-].ClC=1C(=CC=C2N(C=3C=CC=CC3C2(C)C)CCC)CCCC1C=CC4=[N+](C=5C=CC=CC5C4(C)C)CCC

Other Names for this Substance

  • 3H-Indolium, 2-[2-[2-chloro-3-[2-(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propyl-, iodide (1:1)
  • 3H-Indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propyl-, iodide
  • IR 780 iodide
  • IR 780
  • ADS 775PI

View All

Deleted or Replaced CAS Registry Numbers

223714-76-9, 1888323-49-6, 2231085-77-9, 2682041-00-3, 2866219-98-7, 2978601-31-7

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