3-keto-carbosulfan

Properties Image MNX_ID MNXM1137797 reference envipathM:...673271d165bd formula C20H30N2O6S global charge 0 mol weight 426.535 InChIKey JBNPAILZGYIRHW-UHFFFAOYSA-N InChI InChI=1S/C20H30N2O6S/c1-6-8-13-22(14-9-7-2)29(25,26)21(5)19(24)27-16-12-10-11-15-17(16)28-20(3,4)18(15)23/h10-12H,6-9,13-14H2,1-5H3 SMILES CCCCN(CCCC)S(=O)(=O)N(C)C(=O)OC1=C2OC(C)(C)C(=O)C2=CC=C1 MNX internals InChI (mnx) InChI=1/C20H30N2O6S/c1-6-8-13-22(14-9-7-2)29(25,26)21(5)19(24)27-16-12-10-11-15-17(16)28-20(3,4)18(15)23/h10-12H,6-9,13-14H2,1-5H3 SMILES (mnx) [CH3:1][CH2:6][CH2:8][CH2:13][N:22]([CH2:14][CH2:9][CH2:7][CH3:2])[S:29]([N:21]([CH3:5])[C:19](=[O:24])[O:27][C:16]1=[CH:12][CH:10]=[CH:11][C:15]2=[C:17]1[O:28][C:20]([CH3:3])([CH3:4])[C:18]2=[O:23])(=[O:25])=[O:26]

Parent-child relations graph

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