| Properties | Image | with InChI numbering | Occurences in reactions |
MNX_ID | MNXM1376494 |
 |
 |
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C6H5NO4S |
charge | -2 |
mass | 187.169 |
reference | chebi:176891 |
InChIKey | XIVVIYYWXOMYOD-VKHMYHEASA-L |
InChI | InChI=1S/C6H7NO4S/c8-5(9)3-1-12-2-4(7-3)6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)/p-2/t3-/m0/s1 |
SMILES | [CH2:1]1[C@@H:3]([C:5](=[O:8])[OH:9])[N:7]=[C:4]([C:6]([OH:10])=[O:11])[CH2:2][S:12]1 |
|