compound 0049214

Properties Image MNX_ID MNXM1186205 reference envipathM:...b37fa069aa3f formula C11H9ClNO5S global charge -1 mol weight 302.715 InChIKey OMVCURPJKYHCRC-UHFFFAOYSA-M InChI InChI=1S/C11H10ClNO5S/c12-10-9(19(15,16)17)4-3-8(11(10)14)13-6-7-2-1-5-18-7/h1-5,13-14H,6H2,(H,15,16,17)/p-1 SMILES O=S(=O)([O-])C1=CC=C(NCC2=CC=CO2)C(O)=C1Cl MNX internals InChI (mnx) InChI=1/C11H10ClNO5S/c12-10-9(19(15,16)17)4-3-8(11(10)14)13-6-7-2-1-5-18-7/h1-5,13-14H,6H2,(H,15,16,17) SMILES (mnx) [CH:1]1=[CH:5][O:18][C:7]([CH2:6][NH:13][C:8]2=[C:11]([OH:14])[C:10]([Cl:12])=[C:9]([S:19]([OH:15])(=[O:16])=[O:17])[CH:4]=[CH:3]2)=[CH:2]1

Parent-child relations graph

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