| Properties | Image |
MNX_ID | MNXM167661 |
 |
reference | sabiorkM:21154 |
formula | C8H13NO6S |
global charge | 0 |
mol weight | 251.26 |
InChIKey | NWBBWUXCVIJZBG-UHFFFAOYSA-N |
InChI | InChI=1S/C8H11NO2.H2O4S/c9-4-3-6-1-2-7(10)8(11)5-6;1-5(2,3)4/h1-2,5,10-11H,3-4,9H2;(H2,1,2,3,4) |
SMILES | NCCC1=CC(O)=C(O)C=C1.O=S(=O)(O)O |
MNX internals
InChI (mnx) | InChI=1/C8H11NO2.H2O4S/c9-4-3-6-1-2-7(10)8(11)5-6;1-5(2,3)4/h1-2,5,10-11H,3-4,9H2;(H2,1,2,3,4) |
 |
SMILES (mnx) | [CH:1]1=[CH:2][C:7]([OH:10])=[C:8]([OH:11])[CH:5]=[C:6]1[CH2:3][CH2:4][NH2:9].[OH:12][S:16]([OH:13])(=[O:14])=[O:15] |
|