Catalog Number:
AG01AKIC
Chemical Name:
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoic acid
CAS Number:
926195-71-3
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
MDL Number:
MFCD09048151
IUPAC Name:
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoic acid
InChI:
InChI=1S/C12H14O4S/c13-12(14)4-7-17-9-2-3-10-11(8-9)16-6-1-5-15-10/h2-3,8H,1,4-7H2,(H,13,14)
InChI Key:
NCPVLLXQDURDTK-UHFFFAOYSA-N
SMILES:
OC(=O)CCSc1ccc2c(c1)OCCCO2
