3-(2,5-dimethylbenzothiazol-3-yl)propane-1-sulfonate
Molecular Formula:
C
12
H
15
NO
3
S
2
InChI:
InChI=1/C12H15NO3S2/c1-9-4-5-12-11(8-9)13(10(2)17-12)6-3-7-18(14,15)16/h4-5,8H,3,6-7H2,1-2H3
InChIKey:
InChIKey=RHVVCHULMIKELS-UHFFFAOYAO
SMILES:
CC1=CC2=C(C=C1)SC(=[N+]2CCCS(=O)(=O)[O-])C
Names:
3-(2,5-dimethylbenzothiazol-3-yl)propane-1-sulfonate
Registries:
PubChem CID 103345
PubChem ID 10232998