5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-dihydro-2(3H)-furanone

Properties Image MNX_ID MNXM37893 reference chebi:61549 formula C14H17NO7S global charge 0 mol weight 343.357 InChIKey ADFXPKPWYXFXBX-UHFFFAOYSA-N InChI InChI=1S/C14H17NO7S/c1-9(12-8-14(2,3)21-13(12)16)22-23(19,20)11-6-4-10(5-7-11)15(17)18/h4-7,9,12H,8H2,1-3H3 SMILES CC(OS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1CC(C)(C)OC1=O MNX internals InChI (mnx) InChI=1/C14H17NO7S/c1-9(12-8-14(2,3)21-13(12)16)22-23(19,20)11-6-4-10(5-7-11)15(17)18/h4-7,9,12H,8H2,1-3H3/t9?,12? SMILES (mnx) [CH3:1][CH:9]([CH:12]1[CH2:8][C:14]([CH3:2])([CH3:3])[O:21][C:13]1=[O:16])[O:22][S:23]([C:11]1=[CH:7][CH:5]=[C:10]([N+:15]([O-:17])=[O:18])[CH:4]=[CH:6]1)(=[O:19])=[O:20]

Parent-child relations graph

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