disodium N-(1-phenyl-2-phosphonatosulfanyl-ethyl)octanamide

Systemtic Name: disodium N-(1-phenyl-2-phosphonatosulfanyl-ethyl)octanamide Openeye Name: disodium N-(1-phenyl-2-phosphonatosulfanyl-ethyl)octanamide CAS Name: disodium N-[1-phenyl-2-(phosphonatothio)ethyl]octanamide IUPAC Name: disodium N-(1-phenyl-2-phosphonatosulfanylethyl)octanamide Traditional Name: disodium N-[1-phenyl-2-(phosphonatothio)ethyl]caprylamide Formula: C16H24NNa2O4PS MolecularWeight: 403.384361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CSP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(CSP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

InChI

InChI=1S/C16H26NO4PS.2Na/c1-2-3-4-5-9-12-16(18)17-15(13-23-22(19,20)21)14-10-7-6-8-11-14;;/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,17,18)(H2,19,20,21);;/q;2*+1/p-2