Catalog Number:
AG003D74
Chemical Name:
1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
CAS Number:
41085-99-8
Molecular Formula:
C59H97ClN2O4
Molecular Weight:
933.8655
MDL Number:
MFCD00142354
IUPAC Name:
(2E)-2-[(E)-3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole;perchlorate
InChI:
InChI=1S/C59H97N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
JVXZRNYCRFIEGV-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCCCCCCCCCCCCCCCCCN1c2ccccc2C(/C/1=C\C=C\C1=[N+](CCCCCCCCCCCCCCCCCC)c2c(C1(C)C)cccc2)(C)C
