2-[bis(propan-2-ylsulfanyl)phosphorylmethyl-butyl-prop-2-enylsulfanylcarbonyl-azaniumyl]ethanoate

Systemtic Name: 2-[bis(propan-2-ylsulfanyl)phosphorylmethyl-butyl-prop-2-enylsulfanylcarbonyl-azaniumyl]ethanoate Openeye Name: 2-[allylsulfanylcarbonyl-[bis(isopropylsulfanyl)phosphorylmethyl]-butyl-ammonio]acetate CAS Name: 2-[bis(propan-2-ylthio)phosphorylmethyl-butyl-[oxo-(prop-2-enylthio)methyl]ammonio]acetate IUPAC Name: 2-[bis(propan-2-ylsulfanyl)phosphorylmethyl-butyl-prop-2-enylsulfanylcarbonylazaniumyl]acetate Traditional Name: 2-[(allylthio)carbonyl-[bis(isopropylthio)phosphorylmethyl]-butyl-ammonio]acetate Formula: C17H32NO4PS3 MolecularWeight: 441.609041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32NO4PS3/c1-7-9-10-18(12-16(19)20,17(21)24-11-8-2)13-23(22,25-14(3)4)26-15(5)6/h8,14-15H,2,7,9-13H2,1,3-6H3