compound 0049219

Properties Image MNX_ID MNXM1192959 reference envipathM:...2b24212d2643 formula C12H8ClNO8S global charge -2 mol weight 361.715 InChIKey RZYCDQDBRGGQJW-UHFFFAOYSA-L InChI InChI=1S/C12H10ClNO8S/c13-9-7(23(19,20)21)3-6(12(17)18)10(11(9)16)14-4-5-1-2-8(15)22-5/h1-3,14-16H,4H2,(H,17,18)(H,19,20,21)/p-2 SMILES O=C([O-])C1=C(NCC2=CC=C(O)O2)C(O)=C(Cl)C(S(=O)(=O)[O-])=C1 MNX internals InChI (mnx) InChI=1/C12H10ClNO8S/c13-9-7(23(19,20)21)3-6(12(17)18)10(11(9)16)14-4-5-1-2-8(15)22-5/h1-3,14-16H,4H2,(H,17,18)(H,19,20,21) SMILES (mnx) [CH:1]1=[C:5]([CH2:4][NH:14][C:10]2=[C:11]([OH:16])[C:9]([Cl:13])=[C:7]([S:23]([OH:19])(=[O:20])=[O:21])[CH:3]=[C:6]2[C:12](=[O:17])[OH:18])[O:22][C:8]([OH:15])=[CH:2]1

Parent-child relations graph

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