| Properties | Image |
|---|
| MNX_ID | MNXM1183504 |
 |
| reference | envipathM:...54f29440f582 |
| formula | C19H18ClO7 |
| global charge | -1 |
| mol weight | 393.799 |
| InChIKey | LWAQCJCAMWSEPJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H19ClO7/c1-10(2)19(26,12-4-6-13(20)7-5-12)18(25)27-16(17(23)24)11-3-8-14(21)15(22)9-11/h3-10,16,21-22,26H,1-2H3,(H,23,24)/p-1 |
| SMILES | CC(C)C(O)(C(=O)OC(C(=O)[O-])C1=CC=C(O)C(O)=C1)C1=CC=C(Cl)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H19ClO7/c1-10(2)19(26,12-4-6-13(20)7-5-12)18(25)27-16(17(23)24)11-3-8-14(21)15(22)9-11/h3-10,16,21-22,26H,1-2H3,(H,23,24)/t16?,19? |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C:19]([C:12]1=[CH:5][CH:7]=[C:13]([Cl:20])[CH:6]=[CH:4]1)([C:18](=[O:25])[O:27][CH:16]([C:11]1=[CH:9][C:15]([OH:22])=[C:14]([OH:21])[CH:8]=[CH:3]1)[C:17](=[O:23])[OH:24])[OH:26] |
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