| Properties | Image |
|---|
| MNX_ID | MNXM1183318 |
 |
| reference | envipathM:...afd96e010b19 |
| formula | C19H14O9S |
| global charge | 0 |
| mol weight | 418.379 |
| InChIKey | WWJWCANWLSUIIN-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H14O9S/c20-10-3-1-9(2-4-10)19(16-14(23)7-11(21)8-15(16)24)12-5-6-13(22)17(25)18(12)29(26,27)28-19/h1-8,20-25H |
| SMILES | O=S1(=O)OC(C2=CC=C(O)C=C2)(C2=C(O)C=C(O)C=C2O)C2=CC=C(O)C(O)=C21 |
MNX internals
| InChI (mnx) | InChI=1/C19H14O9S/c20-10-3-1-9(2-4-10)19(16-14(23)7-11(21)8-15(16)24)12-5-6-13(22)17(25)18(12)29(26,27)28-19/h1-8,20-25H/t19? |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:10]([OH:20])=[CH:4][CH:2]=[C:9]1[C:19]1([C:16]2=[C:14]([OH:23])[CH:7]=[C:11]([OH:21])[CH:8]=[C:15]2[OH:24])[C:12]2=[C:18]([C:17]([OH:25])=[C:13]([OH:22])[CH:6]=[CH:5]2)[S:29](=[O:26])(=[O:27])[O:28]1 |
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