Products 172960-62-2

CAS 172960-62-2 appears in our catalog under these names: Metazachlor-ethane sulfonic acid (ESA), Metazachlor ESA, Concentration: 100 µg/ml Solvent: Acetonitrile, Metazachlor ESA. Offered by: Dr. Ehrenstorfer, HPC Standards. Available pack sizes: 10mg, 1x1ml, 1x10mg.

Structural formula: {0} (CAS {1})

Metazachlor ESA is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide metazachlor. It has a role as a marine xenobiotic metabolite. It is a member of pyrazoles, an organosulfonic acid and an aromatic amide.

Source: ChEBI

Identity
Molecular formulaC14H17N3O4S
Molecular weight323.37 g/mol
IUPAC name2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoethanesulfonic acid
InChIKeyIPVCSECPEVHQOV-UHFFFAOYSA-N
SMILESCC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CS(=O)(=O)O

Computed by PubChem (NCBI)