compound 0077522

Properties Image MNX_ID MNXM1197607 reference envipathM:...ef0e64ccf904 formula C15H20ClNO6S global charge -2 mol weight 377.846 InChIKey YNLJIPBVMYBDKZ-UHFFFAOYSA-L InChI InChI=1S/C15H22ClNO6S/c1-10(11(15(21)22)8-14(19)20)6-4-2-3-5-7-17-13(18)9-12(16)24(17)23/h9-11H,2-8H2,1H3,(H,19,20)(H,21,22)/p-2 SMILES CC(CCCCCCN1C(=O)C=C(Cl)S1=O)C(CC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C15H22ClNO6S/c1-10(11(15(21)22)8-14(19)20)6-4-2-3-5-7-17-13(18)9-12(16)24(17)23/h9-11H,2-8H2,1H3,(H,19,20)(H,21,22)/t10?,11?,24? SMILES (mnx) [CH3:1][CH:10]([CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][N:17]1[C:13](=[O:18])[CH:9]=[C:12]([Cl:16])[S:24]1=[O:23])[CH:11]([CH2:8][C:14](=[O:19])[OH:20])[C:15](=[O:21])[OH:22]

Parent-child relations graph

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