Catalog Number:
AG009CHK
Chemical Name:
Cy5-yne
CAS Number:
1345823-20-2
Molecular Formula:
C36H43N3O7S2
Molecular Weight:
693.8725
MDL Number:
MFCD29472577
IUPAC Name:
(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
InChI:
InChI=1S/C36H43N3O7S2/c1-7-22-37-34(40)17-13-10-14-23-39-31-21-19-27(48(44,45)46)25-29(31)36(5,6)33(39)16-12-9-11-15-32-35(3,4)28-24-26(47(41,42)43)18-20-30(28)38(32)8-2/h1,9,11-12,15-16,18-21,24-25H,8,10,13-14,17,22-23H2,2-6H3,(H2-,37,40,41,42,43,44,45,46)
InChI Key:
SDCASIAEYVOHMO-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C\C=C\C=C\C1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)[O-])(C)C)S(=O)(=O)O
