| Properties | Image | Occurences in reactions |
MNX_ID | MNXM119509 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C28H35ClN2O6 |
charge | 0 |
mass | 530.21836 |
reference | chebi:51829 |
InChIKey | KIDFITUZQAFBTK-UHFFFAOYSA-N |
InChI | InChI=1S/C28H34N2O2.ClHO4/c1-18-17-27(2,3)30(12-8-9-26(31)32)25-16-24-20(14-22(18)25)13-19-10-11-21(29(6)7)15-23(19)28(24,4)5;2-1(3,4)5/h10-11,13-17H,8-9,12H2,1-7H3;(H,2,3,4,5) |
SMILES | CC1=CC(C)(C)[N+](CCCC(=O)O)=c2cc3c(cc21)=Cc1ccc(N(C)C)cc1C3(C)C.[O-][Cl+3]([O-])([O-])[O-] |
|