| Properties | Image |
|---|
| MNX_ID | MNXM1182917 |
 |
| reference | envipathM:...d0c7041cd8a0 |
| formula | C21H22NO6 |
| global charge | -1 |
| mol weight | 384.408 |
| InChIKey | PSNSZCBVWIZZNC-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H23NO6/c1-22(2)17(20(27)28)19(26)21(18(25)16(24)13-23,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17,19,23,26H,13H2,1-2H3,(H,27,28)/p-1 |
| SMILES | CN(C)C(C(=O)[O-])C(O)C(C(=O)C(=O)CO)(C1=CC=CC=C1)C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H23NO6/c1-22(2)17(20(27)28)19(26)21(18(25)16(24)13-23,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17,19,23,26H,13H2,1-2H3,(H,27,28)/t17?,19? |
 |
| SMILES (mnx) | [CH3:1][N:22]([CH3:2])[CH:17]([CH:19]([C:21]([C:14]1=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]1)([C:15]1=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]1)[C:18]([C:16]([CH2:13][OH:23])=[O:24])=[O:25])[OH:26])[C:20](=[O:27])[OH:28] |
|