compound 0052921

Properties Image MNX_ID MNXM1171802 reference envipathM:...f64b9e43e6dc formula C15H19F13N2O4S global charge 0 mol weight 570.368 InChIKey OKOCIUJVPQKDLL-UHFFFAOYSA-N InChI InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3 SMILES C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3 SMILES (mnx) [CH3:1][N+:30]([CH3:2])([CH2:6][CH2:3][CH2:5][NH:29][S:35]([CH2:7][CH2:4][C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([F:26])([F:27])[F:28])([F:24])[F:25])([F:22])[F:23])([F:20])[F:21])([F:18])[F:19])([F:16])[F:17])(=[O:33])=[O:34])[CH2:8][C:9](=[O:31])[O-:32]

Parent-child relations graph

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