Ir-797 chloride

• CAS: 110992-55-7
• Catalog Number: ACM110992557
• Category: Organic & Printed Electronics
• Molecular Weight: 505.5g/mol
• Molecular Formula: C31H34Cl2N2
• 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
• 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: 2
• Exact Mass: 504.209904g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 35
• Monoisotopic Mass: 504.209904g/mol
• Rotatable Bond Count: 3