compound 0282873

Properties Image MNX_ID MNXM1174490 reference envipathM:...8a262c902366 formula C7H5NO5S global charge -2 mol weight 215.186 InChIKey HWNMSBVDJIUAHW-UHFFFAOYSA-L InChI InChI=1S/C7H7NO5S/c9-5(10)2-1-4-6(7(11)12)8-3-14(4)13/h3H,1-2H2,(H,9,10)(H,11,12)/p-2 SMILES O=C([O-])CCC1=C(C(=O)[O-])N=CS1=O MNX internals InChI (mnx) InChI=1/C7H7NO5S/c9-5(10)2-1-4-6(7(11)12)8-3-14(4)13/h3H,1-2H2,(H,9,10)(H,11,12)/t14? SMILES (mnx) [CH2:1]([CH2:2][C:5](=[O:9])[OH:10])[C:4]1=[C:6]([C:7](=[O:11])[OH:12])[N:8]=[CH:3][S:14]1=[O:13]

Parent-child relations graph

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