Butachlor-ethane sulfonic acid (ESA) calcium

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For Research Use Only | Not For Clinical Use
CATAPS006327
Structure
IUPAC Namecalcium;2-[N-(butoxymethyl)-2,6-diethylanilino]-2-oxoethanesulfonate
Molecular Weight752.99
Molecular Formula2C17H26NO5S.Ca
Canonical SMILES[Ca+2].CCCCOCN(C(=O)CS(=O)(=O)[O-])c1c(CC)cccc1CC.CCCCOCN(C(=O)CS(=O)(=O)[O-])c2c(CC)cccc2CC
InChIInChI=1S/2C17H27NO5S.Ca/c2*1-4-7-11-23-13-18(16(19)12-24(20,21)22)17-14(5-2)9-8-10-15(17)6-3;/h2*8-10H,4-7,11-13H2,1-3H3,(H,20,21,22);/q;;+2/p-2
Accurate Mass752.2689
FormatNeat
Product TypeMetabolite
ShippingRoom Temperature
Storage Conditions+4°C
SubcategoryHerbicides and metabolites
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