Molecule ID: 121596199

IUPAC Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate;dimethylazanium

Description: The molecule is an organoammonium salt resulting from the formal reaction of equimolar amounts of benazolin and dimethylamine. It is used as a post-emergence herbicide for the control of annual weeds in crops. It has a role as a herbicide, an agrochemical and a synthetic auxin. It contains a benazolin(1-) and a dimethylaminium.

SMILES: CNC.O=C(O)Cn1c(=O)sc2cccc(Cl)c21

SELFIES: [C][N][C].[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][O]

InChI: InChI=1S/C9H6ClNO3S.C2H7N/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6;1-3-2/h1-3H,4H2,(H,12,13);3H,1-2H3

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: nan