IR 780
CAS Registry Number®
207399-07-3
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CAS Name
IR 780Molecular Formula
C36H44ClN2.ICite 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 ) (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
Deleted or Replaced CAS Registry Numbers
223714-76-9, 1888323-49-6, 2231085-77-9, 2682041-00-3, 2866219-98-7, 2978601-31-7