diethylstilbestrol diphosphate

Properties Image MNX_ID MNXM50616 reference chebi:4532 formula C18H22O8P2 global charge 0 mol weight 428.314 InChIKey NLORYLAYLIXTID-ISLYRVAYSA-N InChI InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+ SMILES CC/C(C1=CC=C(OP(=O)(O)O)C=C1)=C(/CC)C1=CC=C(OP(=O)(O)O)C=C1 MNX internals InChI (mnx) InChI=1/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+ SMILES (mnx) [CH3:1][CH2:3]/[C:17]([C:13]1=[CH:6][CH:10]=[C:15]([O:25][P:27]([OH:19])([OH:20])=[O:21])[CH:9]=[CH:5]1)=[C:18](/[CH2:4][CH3:2])[C:14]1=[CH:8][CH:12]=[C:16]([O:26][P:28]([OH:22])([OH:23])=[O:24])[CH:11]=[CH:7]1

Parent-child relations graph

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