compound 0077572

Properties Image MNX_ID MNXM1171977 reference envipathM:...bb20488cebd3 formula C15H19Cl2NO8S global charge -2 mol weight 444.289 InChIKey XNQJREDULJOUOZ-UHFFFAOYSA-L InChI InChI=1S/C15H21Cl2NO8S/c1-15(25,8(13(21)22)10(19)14(23)24)6-4-2-3-5-7-18-12(20)9(16)11(17)27(18)26/h8,10,19,25H,2-7H2,1H3,(H,21,22)(H,23,24)/p-2 SMILES CC(O)(CCCCCCN1C(=O)C(Cl)=C(Cl)S1=O)C(C(=O)[O-])C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C15H21Cl2NO8S/c1-15(25,8(13(21)22)10(19)14(23)24)6-4-2-3-5-7-18-12(20)9(16)11(17)27(18)26/h8,10,19,25H,2-7H2,1H3,(H,21,22)(H,23,24)/t8?,10?,15?,27? SMILES (mnx) [CH3:1][C:15]([CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][N:18]1[C:12](=[O:20])[C:9]([Cl:16])=[C:11]([Cl:17])[S:27]1=[O:26])([CH:8]([CH:10]([C:14](=[O:23])[OH:24])[OH:19])[C:13](=[O:21])[OH:22])[OH:25]

Parent-child relations graph

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