CAS 460337-33-1 2-(2-[2-Chloro-3-[2-(3-ethyl-1,1-dimethyl-1,3-dihydro-benzo[e]indol-2-ylidene)-ethylidene]-cyclohex-1-enyl]-vinyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indolium 4-methylbenzenesulfonate

NAVIGATION

2-(2-[2-Chloro-3-[2-(3-ethyl-1,1-dimethyl-1,3-dihydro-benzo[e]indol-2-ylidene)-ethylidene]-cyclohex-1-enyl]-vinyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indolium 4-methylbenzenesulfonate

PRICE INQUIRY

Catalog Number

ACM460337331-2

CAS Number

460337-33-1

Product Name

2-(2-[2-Chloro-3-[2-(3-ethyl-1,1-dimethyl-1,3-dihydro-benzo[e]indol-2-ylidene)-ethylidene]-cyclohex-1-enyl]-vinyl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indolium 4-methylbenzenesulfonate

Structure

Category

Solvent Soluble Cyanine Dyes

IUPAC Name

(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;4-methylbenzenesulfonate

Molecular Weight

783.47

Molecular Formula

C49H51ClN2O3S

Canonical SMILES

CCN1C2=C(C3=CC=CC=C3C=C2)C(C1=CC=C4CCCC(=C4Cl)C=CC5=[N+](C6=C(C5(C)C)C7=CC=CC=C7C=C6)CC)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C42H44ClN2.C7H8O3S/c1-7-44-34-24-20-28-14-9-11-18-32(28)38(34)41(3,4)36(44)26-22-30-16-13-17-31(40(30)43)23-27-37-42(5,6)39-33-19-12-10-15-29(33)21-25-35(39)45(37)8-2;1-6-2-4-7(5-3-6)11(8,9)10/h9-12,14-15,18-27H,7-8,13,16-17H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChI Key

DSCYRBZZAYJOOE-UHFFFAOYSA-M

Absorption Maximum

816 nm

Isomeric SMILES

CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\4/CCCC(=C4Cl)/C=C/C5=[N+](C6=C(C5(C)C)C7=CC=CC=C7C=C6)CC)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Solvent

MeOH

MSDS

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COA

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