Catalog Number:
AG00ABRA
Chemical Name:
CY3-N3
CAS Number:
1621101-43-6
Molecular Formula:
C36H46N6O7S2
Molecular Weight:
738.9164
MDL Number:
MFCD29924709
IUPAC Name:
2-[5-[1-[6-(3-azidopropylamino)-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
InChI:
InChI=1S/C36H46N6O7S2/c1-6-41-30-19-17-26(50(44,45)46)24-28(30)35(2,3)32(41)14-9-7-10-15-33-36(4,5)29-25-27(51(47,48)49)18-20-31(29)42(33)23-12-8-11-16-34(43)38-21-13-22-39-40-37/h7,9-10,14-15,17-20,24-25H,6,8,11-13,16,21-23H2,1-5H3,(H2-,38,43,44,45,46,47,48,49)
InChI Key:
LSISYTNZXRYXJU-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCCNC(=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
