N-[2-[bis(2-isocyanoethoxy)phosphinothioyloxy]-1-phenyl-ethyl]octanamide

Systemtic Name: N-[2-[bis(2-isocyanoethoxy)phosphinothioyloxy]-1-phenyl-ethyl]octanamide Openeye Name: N-[2-[bis(2-isocyanoethoxy)phosphinothioyloxy]-1-phenyl-ethyl]octanamide CAS Name: N-[2-[bis(2-isocyanoethoxy)phosphinothioyloxy]-1-phenylethyl]octanamide IUPAC Name: N-[2-[bis(2-isocyanoethoxy)phosphinothioyloxy]-1-phenylethyl]octanamide Traditional Name: N-[2-[bis(2-isocyanoethoxy)thiophosphoryloxy]-1-phenyl-ethyl]caprylamide Formula: C22H32N3O4PS MolecularWeight: 465.545941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=S)(OCC[N+]#[C-])OCC[N+]#[C-])C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=S)(OCC[N+]#[C-])OCC[N+]#[C-])C1=CC=CC=C1

InChI

InChI=1S/C22H32N3O4PS/c1-4-5-6-7-11-14-22(26)25-21(20-12-9-8-10-13-20)19-29-30(31,27-17-15-23-2)28-18-16-24-3/h8-10,12-13,21H,4-7,11,14-19H2,1H3,(H,25,26)