CAS 905-96-4 3,3'-Diethyloxacarbocyanine Iodide, ≥98%

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3,3'-Diethyloxacarbocyanine Iodide, ≥98%

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Catalog Number

ACM905964-2

Product Name

3,3'-Diethyloxacarbocyanine Iodide, ≥98%

Structure

CAS

905-96-4

Category

Other Materials

IUPAC Name

(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide

Molecular Weight

460.3g/mol

Molecular Formula

C21H21IN2O2

Canonical SMILES

CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CC.[I-]

InChI

InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1

InChI Key

FIZZUEJIOKEFFZ-UHFFFAOYSA-M

Complexity

474

Covalently-Bonded Unit Count

EC Number

212-996-6

Exact Mass

460.06477g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

3,3'-diethyloxacarbocyanine;3,3'-diethyloxacarbocyanine iodide;DiOC2;DiOC2(3)

Monoisotopic Mass

460.06477g/mol

NSC Number

96929

Rotatable Bond Count

MSDS

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COA

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Spec Sheet

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