| Properties | Image |
|---|
| MNX_ID | MNXM1130168 |
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| reference | keggD:D11826 |
| formula | C24H29Cl2NO3 |
| global charge | 0 |
| mol weight | 450.406 |
| InChIKey | XHCSBQBBGNQINS-DOTOQJQBSA-N |
| InChI | InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1 |
| SMILES | C[C@H]1C2=CC=CC(CCC(C)(C)O)=C2C[C@H](CO)N1C(=O)CC1=C(Cl)C=CC=C1Cl |
MNX internals
| InChI (mnx) | InChI=1/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]1[C:18]2=[CH:7][CH:4]=[CH:6][C:16]([CH2:10][CH2:11][C:24]([CH3:2])([CH3:3])[OH:30])=[C:19]2[CH2:12][C@H:17]([CH2:14][OH:28])[N:27]1[C:23]([CH2:13][C:20]1=[C:21]([Cl:25])[CH:8]=[CH:5][CH:9]=[C:22]1[Cl:26])=[O:29] |
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