CAS 193687-61-5 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]-ethenyl]-1,3,3-trimethyl-3H-indolium 4-methylbenzenesulfonate

NAVIGATION

2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]-ethenyl]-1,3,3-trimethyl-3H-indolium 4-methylbenzenesulfonate

PRICE INQUIRY

Catalog Number

ACM193687615-2

CAS Number

193687-61-5

Product Name

2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]-ethenyl]-1,3,3-trimethyl-3H-indolium 4-methylbenzenesulfonate

Structure

Category

Solvent Soluble Cyanine Dyes

IUPAC Name

(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;4-methylbenzenesulfonate

Molecular Weight

641.27

Molecular Formula

C38H41ClN2O3S

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CC3)Cl)C)C

InChI

InChI=1S/C31H34ClN2.C7H8O3S/c1-30(2)23-11-7-9-13-25(23)33(5)27(30)19-17-21-15-16-22(29(21)32)18-20-28-31(3,4)24-12-8-10-14-26(24)34(28)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-14,17-20H,15-16H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChI Key

QCVUQADFHDUPLD-UHFFFAOYSA-M

Absorption Maximum

797 nm

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4C)(C)C)/CC3)Cl)C)C

Solvent

MeOH

MSDS

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COA

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