2-[(2'-methylsulfanyl)heptyl]maleate

Properties Image MNX_ID MNXM164091 reference metacycM:CPD-19481 formula C12H18O4S global charge -2 mol weight 258.339 InChIKey GADMIJGPIIRJII-KTKRTIGZSA-L InChI InChI=1S/C12H20O4S/c1-17-8-6-4-2-3-5-7-10(12(15)16)9-11(13)14/h9H,2-8H2,1H3,(H,13,14)(H,15,16)/p-2/b10-9- SMILES CSCCCCCCC/C(=C/C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H20O4S/c1-17-8-6-4-2-3-5-7-10(12(15)16)9-11(13)14/h9H,2-8H2,1H3,(H,13,14)(H,15,16)/b10-9- SMILES (mnx) [CH3:1][S:17][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7]/[C:10](=[CH:9]/[C:11](=[O:13])[OH:14])[C:12](=[O:15])[OH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0