[(2S)-3-bis(oxidanyl)phosphinothioyloxy-2-methoxy-propyl] (Z)-octadec-9-enoate; N,N-diethylethanamine

Systemtic Name: [(2S)-3-bis(oxidanyl)phosphinothioyloxy-2-methoxy-propyl] (Z)-octadec-9-enoate; N,N-diethylethanamine Openeye Name: N,N-diethylethanamine; [(2S)-3-dihydroxyphosphinothioyloxy-2-methoxy-propyl] (Z)-octadec-9-enoate CAS Name: N,N-diethylethanamine; (Z)-9-octadecenoic acid [(2S)-3-dihydroxyphosphinothioyloxy-2-methoxypropyl] ester IUPAC Name: N,N-diethylethanamine; [(2S)-3-dihydroxyphosphinothioyloxy-2-methoxypropyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [(2S)-3-dihydroxythiophosphoryloxy-2-methoxy-propyl] ester; triethylamine Formula: C34H73N2O6PS MolecularWeight: 668.991981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=S)(O)O)OC.CCN(CC)CC.CCN(CC)CC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=S)(O)O)OC.CCN(CC)CC.CCN(CC)CC

InChI

InChI=1S/C22H43O6PS.2C6H15N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30;2*1-4-7(5-2)6-3/h10-11,21H,3-9,12-20H2,1-2H3,(H2,24,25,30);2*4-6H2,1-3H3/b11-10-;;/t21-;;/m0../s1