3-Mercaptoheptyl acetate

Properties Image MNX_ID MNXM117502 reference chebi:168942 formula C9H18O2S global charge 0 mol weight 190.308 InChIKey JWESHEXXXWDVAQ-UHFFFAOYSA-N InChI InChI=1S/C9H18O2S/c1-3-4-5-9(12)6-7-11-8(2)10/h9,12H,3-7H2,1-2H3 SMILES CCCCC(S)CCOC(C)=O MNX internals InChI (mnx) InChI=1/C9H18O2S/c1-3-4-5-9(12)6-7-11-8(2)10/h9,12H,3-7H2,1-2H3/t9? SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH:9]([CH2:6][CH2:7][O:11][C:8]([CH3:2])=[O:10])[SH:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0