bis(propan-2-ylsulfanyl)phosphorylmethyl-butyl-(carboxymethyl)-prop-2-enylsulfanylcarbonyl-azanium

Systemtic Name: bis(propan-2-ylsulfanyl)phosphorylmethyl-butyl-(carboxymethyl)-prop-2-enylsulfanylcarbonyl-azanium Openeye Name: allylsulfanylcarbonyl-[bis(isopropylsulfanyl)phosphorylmethyl]-butyl-(carboxymethyl)ammonium CAS Name: bis(propan-2-ylthio)phosphorylmethyl-butyl-(carboxymethyl)-[oxo-(prop-2-enylthio)methyl]ammonium IUPAC Name: bis(propan-2-ylsulfanyl)phosphorylmethyl-butyl-(carboxymethyl)-prop-2-enylsulfanylcarbonylazanium Traditional Name: (allylthio)carbonyl-[bis(isopropylthio)phosphorylmethyl]-butyl-(carboxymethyl)ammonium Formula: C17H33NO4PS3+ MolecularWeight: 442.616981

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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/p+1