| Properties | Image |
|---|
| MNX_ID | MNXM1184497 |
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| reference | envipathM:...477e1bfbaf77 |
| formula | C20H17ClNO7 |
| global charge | -1 |
| mol weight | 418.809 |
| InChIKey | VBGVJYUTNJZMJZ-WSDLNYQXSA-M |
| InChI | InChI=1S/C20H18ClNO7/c1-12(17(24)18(25)13-6-8-15(21)9-7-13)22-29-10-14-4-2-3-5-16(14)20(28,11-23)19(26)27/h2-9,11,18,25,28H,10H2,1H3,(H,26,27)/p-1/b22-12+ |
| SMILES | C/C(=N\OCC1=C(C(O)(C=O)C(=O)[O-])C=CC=C1)C(=O)C(O)C1=CC=C(Cl)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H18ClNO7/c1-12(17(24)18(25)13-6-8-15(21)9-7-13)22-29-10-14-4-2-3-5-16(14)20(28,11-23)19(26)27/h2-9,11,18,25,28H,10H2,1H3,(H,26,27)/b22-12+/t18?,20? |
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| SMILES (mnx) | [CH3:1]/[C:12]([C:17]([CH:18]([C:13]1=[CH:7][CH:9]=[C:15]([Cl:21])[CH:8]=[CH:6]1)[OH:25])=[O:24])=[N:22]\[O:29][CH2:10][C:14]1=[CH:4][CH:2]=[CH:3][CH:5]=[C:16]1[C:20]([CH:11]=[O:23])([C:19](=[O:26])[OH:27])[OH:28] |
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