compound 0040234

Properties Image MNX_ID MNXM504189 reference envipathM:...5fc89edeb4e2 formula C15H14O6S global charge 0 mol weight 322.338 InChIKey JTBRLVCSCAJINS-UHFFFAOYSA-N InChI InChI=1S/C15H14O6S/c1-22(20,21)13-6-5-9(7-10(13)8-16)15(19)14-11(17)3-2-4-12(14)18/h5-8,14H,2-4H2,1H3 SMILES CS(=O)(=O)C1=CC=C(C(=O)C2C(=O)CCCC2=O)C=C1C=O MNX internals InChI (mnx) InChI=1/C15H14O6S/c1-22(20,21)13-6-5-9(7-10(13)8-16)15(19)14-11(17)3-2-4-12(14)18/h5-8,14H,2-4H2,1H3 SMILES (mnx) [CH3:1][S:22]([C:13]1=[C:10]([CH:8]=[O:16])[CH:7]=[C:9]([C:15]([CH:14]2[C:11](=[O:17])[CH2:3][CH2:2][CH2:4][C:12]2=[O:18])=[O:19])[CH:5]=[CH:6]1)(=[O:20])=[O:21]

Parent-child relations graph

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