NIR 5e

• Synonyms:

  2-[2-[2-Chloro-3-[[1,3-dihydro-3-(3-isothiocyanatopropyl)-1,1-dimethyl-2H-benz[e]indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benz[e]indolium Bromide

• Hazard Statement:

  No Data Available

• Smiles:

  ClC1=C(/C=C/C2=[N+](CCCN=C=S)C3=C(C(C=CC=C4)=C4C=C3)C2(C)C)CCC/C1=C\C=C5N(CCCN=C=S)C(C=CC6=C7C=CC=C6)=C7C/5(C)C.[Br-]

• Molecular Formula:

  C46H46ClN4S2 • Br

• Molecular Weight:

  834.37

• InChI:

  InChI=1S/C46H46ClN4S2.BrH/c1-45(2)40(50(28-10-26-48-30-52)38-22-18-32-12-5-7-16-36(32)42(38)45)24-20-34-14-9-15-35(44(34)47)21-25-41-46(3,4)43-37-17-8-6-13-33(37)19-23-39(43)51(41)29-11-27-49-31-53;/h5-8,12-13,16-25H,9-11,14-15,26-29H2,1-4H3;1H/q+1;/p-1

• Additionnal Information:

  IUPAC name: 2-((E)-2-((E)-2-chloro-3-((Z)-2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide

• Shipping Conditions:

  Room Temperature

• CAS Number:

  162411-31-6