| Properties | Image |
|---|
| MNX_ID | MNXM1194677 |
 |
| reference | envipathM:...ac15db194c45 |
| formula | C14H15NO6S |
| global charge | 0 |
| mol weight | 325.342 |
| InChIKey | BGRILUUVZMCSLF-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H15NO6S/c16-8-3-1-2-4-10(8)22(21)15-13(19)7-5-6-9(17)12(18)11(7)14(15)20/h5-6,8,10,16-18H,1-4H2 |
| SMILES | O=C1C2=CC=C(O)C(O)=C2C(=O)N1S(=O)C1CCCCC1O |
MNX internals
| InChI (mnx) | InChI=1/C14H15NO6S/c16-8-3-1-2-4-10(8)22(21)15-13(19)7-5-6-9(17)12(18)11(7)14(15)20/h5-6,8,10,16-18H,1-4H2/t8?,10?,22? |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][CH2:4][CH:10]([S:22]([N:15]2[C:13](=[O:19])[C:7]3=[C:11]([C:12]([OH:18])=[C:9]([OH:17])[CH:6]=[CH:5]3)[C:14]2=[O:20])=[O:21])[CH:8]([OH:16])[CH2:3]1 |
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