| Properties | Image |
|---|
| MNX_ID | MNXM1176947 |
 |
| reference | envipathM:...aca878fae6c5 |
| formula | C14H13NO7S |
| global charge | 0 |
| mol weight | 339.325 |
| InChIKey | DKAJZZVDDYZODO-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H13NO7S/c16-7-5-4-6-10(11(7)18)13(20)15(12(6)19)23-8-2-1-3-9(17)22-14(8)21/h4-5,8,14,16,18,21H,1-3H2 |
| SMILES | O=C1CCCC(SN2C(=O)C3=CC=C(O)C(O)=C3C2=O)C(O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C14H13NO7S/c16-7-5-4-6-10(11(7)18)13(20)15(12(6)19)23-8-2-1-3-9(17)22-14(8)21/h4-5,8,14,16,18,21H,1-3H2/t8?,14? |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][CH:8]([S:23][N:15]2[C:12](=[O:19])[C:6]3=[C:10]([C:11]([OH:18])=[C:7]([OH:16])[CH:5]=[CH:4]3)[C:13]2=[O:20])[CH:14]([OH:21])[O:22][C:9](=[O:17])[CH2:3]1 |
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