| Properties | Image |
|---|
| MNX_ID | MNXM52058 |
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| reference | keggD:D03992 |
| formula | C23H34Cl2N2O6 |
| global charge | 0 |
| mol weight | 505.439 |
| InChIKey | RZPWWIJNWAEUTD-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H32N2O6.2ClH/c1-27-20-8-6-5-7-19(20)25-11-9-24(10-12-25)15-17(26)16-31-18-13-21(28-2)23(30-4)22(14-18)29-3;;/h5-8,13-14,17,26H,9-12,15-16H2,1-4H3;2*1H |
| SMILES | COC1=CC(OCC(O)CN2CCN(C3=C(OC)C=CC=C3)CC2)=CC(OC)=C1OC.Cl.Cl |
MNX internals
| InChI (mnx) | InChI=1/C23H32N2O6.2ClH/c1-27-20-8-6-5-7-19(20)25-11-9-24(10-12-25)15-17(26)16-31-18-13-21(28-2)23(30-4)22(14-18)29-3;;/h5-8,13-14,17,26H,9-12,15-16H2,1-4H3;2*1H/t17?;; |
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| SMILES (mnx) | [CH3:1][O:27][C:20]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:19]1[N:25]1[CH2:11][CH2:9][N:24]([CH2:15][CH:17]([CH2:16][O:31][C:18]2=[CH:13][C:21]([O:28][CH3:2])=[C:23]([O:30][CH3:4])[C:22]([O:29][CH3:3])=[CH:14]2)[OH:26])[CH2:10][CH2:12]1.[ClH:32].[ClH:33] |
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