compound 0285708

Properties Image MNX_ID MNXM1196215 reference envipathM:...3a5e97ae4431 formula C14H12NO9S global charge -1 mol weight 370.315 InChIKey BYOSCEDWCTYTKT-UHFFFAOYSA-M InChI InChI=1S/C14H13NO9S/c1-25(23,24)8-2-3-9(10(6-8)15(21)22)12(17)7-13(18)11(16)4-5-14(19)20/h2-3,6H,4-5,7H2,1H3,(H,19,20)/p-1 SMILES CS(=O)(=O)C1=CC=C(C(=O)CC(=O)C(=O)CCC(=O)[O-])C([N+](=O)[O-])=C1 MNX internals InChI (mnx) InChI=1/C14H13NO9S/c1-25(23,24)8-2-3-9(10(6-8)15(21)22)12(17)7-13(18)11(16)4-5-14(19)20/h2-3,6H,4-5,7H2,1H3,(H,19,20) SMILES (mnx) [CH3:1][S:25]([C:8]1=[CH:6][C:10]([N+:15]([O-:21])=[O:22])=[C:9]([C:12]([CH2:7][C:13]([C:11]([CH2:4][CH2:5][C:14](=[O:19])[OH:20])=[O:16])=[O:18])=[O:17])[CH:3]=[CH:2]1)(=[O:23])=[O:24]

Parent-child relations graph

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