[(2S)-3-[bis(2-cyanoethoxy)phosphinothioyloxy]-2-methoxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [(2S)-3-[bis(2-cyanoethoxy)phosphinothioyloxy]-2-methoxy-propyl] (E)-octadec-9-enoate Openeye Name: [(2S)-3-[bis(2-cyanoethoxy)phosphinothioyloxy]-2-methoxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(2S)-3-[bis(2-cyanoethoxy)phosphinothioyloxy]-2-methoxypropyl] ester IUPAC Name: [(2S)-3-[bis(2-cyanoethoxy)phosphinothioyloxy]-2-methoxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(2S)-3-[bis(2-cyanoethoxy)thiophosphoryloxy]-2-methoxy-propyl] ester Formula: C28H49N2O6PS MolecularWeight: 572.737221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=S)(OCCC#N)OCCC#N)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](COP(=S)(OCCC#N)OCCC#N)OC

InChI

InChI=1S/C28H49N2O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(31)33-25-27(32-2)26-36-37(38,34-23-18-21-29)35-24-19-22-30/h10-11,27H,3-9,12-20,23-26H2,1-2H3/b11-10+/t27-/m0/s1