(3S)-3-(1-carboxylatoethenoxy)cyclohepta-1,6-diene-1-carboxylate

Properties Image MNX_ID MNXM48116 reference metacycM:CPD0-1681 formula C11H10O5 global charge -2 mol weight 222.196 InChIKey VJFDVDXXJRSPLZ-VIFPVBQESA-L InChI InChI=1S/C11H12O5/c1-7(10(12)13)16-9-5-3-2-4-8(6-9)11(14)15/h2,4,6,9H,1,3,5H2,(H,12,13)(H,14,15)/p-2/t9-/m0/s1 SMILES C=C(O[C@@H]1C=C(C(=O)[O-])C=CCC1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H12O5/c1-7(10(12)13)16-9-5-3-2-4-8(6-9)11(14)15/h2,4,6,9H,1,3,5H2,(H,12,13)(H,14,15)/t9-/m0/s1 SMILES (mnx) [CH2:1]=[C:7]([C:10](=[O:12])[OH:13])[O:16][C@H:9]1[CH2:5][CH2:3][CH:2]=[CH:4][C:8]([C:11](=[O:14])[OH:15])=[CH:6]1

Parent-child relations graph

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