IR 26 (Dye 26)

Analyte Name

IR 26 (Dye 26)

CAS Number

76871-75-5

Molecular Formula

C40H30ClS2 . ClO4

Molecular Weight

709.7

Accurate Mass

708.1

SMILES

O=Cl(=O)(=O)[O-].ClC=1C(=CC=C2C=C(SC=3C=CC=CC32)C=4C=CC=CC4)CCCC1C=CC5=CC(=[S+]C=6C=CC=CC65)C=7C=CC=CC7

InChI

InChI=1S/C40H30ClS2.ClHO4/c41-40-30(22-24-32-26-38(28-12-3-1-4-13-28)42-36-20-9-7-18-34(32)36)16-11-17-31(40)23-25-33-27-39(29-14-5-2-6-15-29)43-37-21-10-8-19-35(33)37;2-1(3,4)5/h1-10,12-15,18-27H,11,16-17H2;(H,2,3,4,5)/q+1;/p-1

IUPAC

4-(2-(2-chloro-3-(2-(2-phenyl-4H-thiochromen-4-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-2-phenylthiochromenylium perchlorate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat