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Product Code

TRC-I749005

CAS Number

110992-55-7

Product Format

Neat

Molecular Formula

C31H34ClN2 . Cl

Molecular Weight

505.52

Product Categories

TRC, Stains & dyes

Product Type

Contaminant

Price and availability

48-hour USA dispatch time
Freight restricted.

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Product Information

Chemical Data

Analyte Name

IR-797 chloride

CAS Number

110992-55-7

Molecular Formula

C31H34ClN2 . Cl

Molecular Weight

505.52

Accurate Mass

504.21

SMILES

CC1(C)C(/C=C/C2=C(Cl)/C(CC2)=C/C=C3N(C)C4=C(C=CC=C4)C/3(C)C)=[N+](C)C5=C1C=CC=C5.[Cl-]

InChI

InChI=1S/C31H34ClN2.ClH/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;/h7-14,17-20H,15-16H2,1-6H3;1H/q+1;/p-1

IUPAC

2-((E)-2-((E)-2-chloro-3-(2-((E)-1,3,3-trimethylindolin-2-ylidene)ethylidene)cyclopent-1-en-1-yl)vinyl)-1,3,3-trimethyl-3H-indol-1-ium chloride

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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