CAS 22268-66-2 3,3-Diethylthiatricarbocyanine perchlorate

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3,3-Diethylthiatricarbocyanine perchlorate

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Catalog Number

ACM22268662

Product Name

3,3-Diethylthiatricarbocyanine perchlorate

Structure

CAS

22268-66-2

Category

Other Materials

Synonyms

benzothiazolium,3-ethyl-2-[7-(3-ethyl-2(3h)-benzothiazolylidene)-1,3,5-heptatr;3-ETHYL-2-((1E,3E,5E)-7-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-1,3,5-HEPTATRIENYL)-1,3-BENZOTHIAZOL-3-IUM PERCHLORATE;3,3-DIETHYLTHIATRICARBOCYANINE PERCHLORATE;BENZOTHIAZOLI

IUPAC Name

(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;perchlorate

Molecular Weight

517.1g/mol

Molecular Formula

C25H25ClN2O4S2

Canonical SMILES

CCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H25N2S2.ClHO4/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2-1(3,4)5/h5-19H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1

InChI Key

PZQHZVAROUTGBU-UHFFFAOYSA-M

Complexity

697

Covalently-Bonded Unit Count

Exact Mass

516.094427g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

516.094427g/mol

Rotatable Bond Count