2-[2-[2-Chloro-3-[2-[1,3-Dihydro-1-(3-Isothiocyanatopropyl)-3,3-Dimethyl-2H-Indol-2-Ylidene]Ethylidene]-1-Cyclohexen-1-Yl]Ethenyl]-1-(3-Isothiocyanatopropyl)-3,3-Dimethyl-3H-Indolium Bromide (1:1)
[CAS# 162411-24-7]

Identification

• Name: 2-[2-[2-Chloro-3-[2-[1,3-Dihydro-1-(3-Isothiocyanatopropyl)-3,3-Dimethyl-2H-Indol-2-Ylidene]Ethylidene]-1-Cyclohexen-1-Yl]Ethenyl]-1-(3-Isothiocyanatopropyl)-3,3-Dimethyl-3H-Indolium Bromide (1:1)
• Synonyms: 1,1Μ-Bis(3-Isothiocyanatopropyl)-11-Chloro-3,3,3Μ,3Μ-Tetramethyl-10,12-Trimethylenindotricarbocyanine Bromide; NIR 4F
• Molecular Formula: C₃₈H₄₂BrClN₄S₂
• Molecular Weight: 734.25
• CAS Registry Number: 162411-24-7
• SMILES: S=C=NCCCN1c2ccccc2C(/C/1=C\C=C\1/CCCC(=C1Cl)/C=C/C1=[N+](CCCN=C=S)c2c(C1(C)C)cccc2)(C)C.[Br-]
• InChI: 1S/C38H42ClN4S2.BrH/c1-37(2)30-14-5-7-16-32(30)42(24-10-22-40-26-44)34(37)20-18-28-12-9-13-29(36(28)39)19-21-35-38(3,4)31-15-6-8-17-33(31)43(35)25-11-23-41-27-45;/h5-8,14-21H,9-13,22-25H2,1-4H3