Catalog Number:
AG00ABNJ
Chemical Name:
Cy2-se
CAS Number:
186205-33-4
Molecular Formula:
C29H30IN3O6
Molecular Weight:
643.4695
MDL Number:
MFCD29472246
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 6-[2-[(E,3Z)-3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]hexanoate;iodide
InChI:
InChI=1S/C29H30N3O6.HI/c1-2-30-21-11-5-7-13-23(21)36-27(30)15-10-16-28-31(22-12-6-8-14-24(22)37-28)20-9-3-4-17-29(35)38-32-25(33)18-19-26(32)34;/h5-8,10-16H,2-4,9,17-20H2,1H3;1H/q+1;/p-1
InChI Key:
RQYPAAVMQSMNBY-UHFFFAOYSA-M
SMILES:
CC[n+]1c(/C=C/C=c\2/oc3c(n2CCCCCC(=O)ON2C(=O)CCC2=O)cccc3)oc2c1cccc2.[I-]
