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1,1-Diethyl-2,2-dicarbocyanine iodide

1,1-Diethyl-2,2-dicarbocyanine iodide

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Catalog Number

ACM14187316

CAS Number

14187-31-6

Product Name

1,1-Diethyl-2,2-dicarbocyanine iodide

Structure

Category

Other Materials

Synonyms

1-ethyl-2-[5-(1-ethyl-2(1h)-quinolinylidene)-1,3-pentadienyl]-quinoliniuio;1,1-DIETHYL-2,2-DICARBOCYANINE IODIDE;1-ethyl-2-[5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl]quinolinium iodide;1,1-Diethyl-2,2-quinodicarbocyanine iodide;1,1-DIETHYL-2,2-DICAR

IUPAC Name

(2E)-1-ethyl-2-[(2E,4E)-5-(1-ethylquinolin-1-ium-2-yl)penta-2,4-dienylidene]quinoline;iodide

Molecular Weight

506.4g/mol

Molecular Formula

C27H27IN2

Canonical SMILES

CCN1C(=CC=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]

InChI

InChI=1S/C27H27N2.HI/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1

InChI Key

ZFYDGPJXMYCXNV-UHFFFAOYSA-M

Complexity

591

Covalently-Bonded Unit Count

2

EC Number

238-040-8

Exact Mass

506.1219g/mol

Formal Charge

0

Heavy Atom Count

30

Monoisotopic Mass

506.1219g/mol

Rotatable Bond Count

5

MSDS

COA

Spec Sheet

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