IR 813

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IR 813

IR 813 | 134127-48-3

Catelog Number A17-0019
Category Laser Dyes
Molecular Formula C47H47N2SO3Cl
Molecular Weight 755.41
Catalog Number Size Price Quantity
A17-0019 -- $--

Product Introduction

IR 813 is used as a laser and near-infrared dye.

Chemical Information

Synonyms IR-813 p-Toluenesulfonate; 2-(2-{2-Chloro-3-[2-(1,1,3-trimethyl-2,3-dihydro-1H-benzo[e]indol-2-yliden)ethylidene]-1-cyclohexenyl}-1-ethenyl)-1,1,3-trimethyl-1H-benzo[e]indolium 4-methyl-1-benzenesulfonate
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=C(C(=CC=C5C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)CCC4)Cl)C
InChI InChI=1S/C40H40ClN2.C7H8O3S/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,12-13,16-25H,11,14-15H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key LQVQHHTYXSPHSQ-UHFFFAOYSA-M
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