CAS 110992-55-7 Ir-797 chloride - Materials / Alfa Chemistry

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Ir-797 chloride

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Catalog Number

ACM110992557

Product Name

Ir-797 chloride

Structure

CAS

110992-55-7

Category

Other Materials

Synonyms

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 chloride;IR-797 chloride Dye content 70 %

IUPAC Name

(2Z)-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;chloride

Molecular Weight

505.5g/mol

Molecular Formula

C31H34Cl2N2

Canonical SMILES

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

InChI Key

OATKVFFCVUJOEX-UHFFFAOYSA-M

Complexity

915

Covalently-Bonded Unit Count

Exact Mass

504.209904g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

504.209904g/mol

Rotatable Bond Count