2-[butyl-(phosphonomethyl)-prop-2-enylsulfanylcarbonyl-azaniumyl]ethanoate

Systemtic Name: 2-[butyl-(phosphonomethyl)-prop-2-enylsulfanylcarbonyl-azaniumyl]ethanoate Openeye Name: 2-[allylsulfanylcarbonyl-butyl-(phosphonomethyl)ammonio]acetate CAS Name: 2-[butyl-[oxo-(prop-2-enylthio)methyl]-(phosphonomethyl)ammonio]acetate IUPAC Name: 2-[butyl-(phosphonomethyl)-prop-2-enylsulfanylcarbonylazaniumyl]acetate Traditional Name: 2-[(allylthio)carbonyl-butyl-(phosphonomethyl)ammonio]acetate Formula: C11H20NO6PS MolecularWeight: 325.318361

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC(=O)[O-])(CP(=O)(O)O)C(=O)SCC=C

Isomeric SMILES

CCCC[N+](CC(=O)[O-])(CP(=O)(O)O)C(=O)SCC=C

InChI

InChI=1S/C11H20NO6PS/c1-3-5-6-12(8-10(13)14,9-19(16,17)18)11(15)20-7-4-2/h4H,2-3,5-9H2,1H3,(H2-,13,14,16,17,18)