| Properties | Image |
|---|
| MNX_ID | MNXM1184579 |
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| reference | envipathM:...12c3fc7d868a |
| formula | C20H18ClNO6 |
| global charge | -2 |
| mol weight | 403.818 |
| InChIKey | YDNAACBEAQEKMI-WSDLNYQXSA-L |
| InChI | InChI=1S/C20H20ClNO6/c1-12(17(23)10-13-6-8-15(21)9-7-13)22-28-11-14-4-2-3-5-16(14)18(19(24)25)20(26)27/h2-9,17-18,23H,10-11H2,1H3,(H,24,25)(H,26,27)/p-2/b22-12+ |
| SMILES | C/C(=N\OCC1=C(C(C(=O)[O-])C(=O)[O-])C=CC=C1)C(O)CC1=CC=C(Cl)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H20ClNO6/c1-12(17(23)10-13-6-8-15(21)9-7-13)22-28-11-14-4-2-3-5-16(14)18(19(24)25)20(26)27/h2-9,17-18,23H,10-11H2,1H3,(H,24,25)(H,26,27)/b22-12+/t17? |
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| SMILES (mnx) | [CH3:1]/[C:12]([CH:17]([CH2:10][C:13]1=[CH:7][CH:9]=[C:15]([Cl:21])[CH:8]=[CH:6]1)[OH:23])=[N:22]\[O:28][CH2:11][C:14]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:16]1[CH:18]([C:19](=[O:24])[OH:25])[C:20](=[O:26])[OH:27] |
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