sodium [(2S)-2,3-bis(oxidanyl)propyl] [(2R)-2-octadecanoylsulfanyl-3-octadecoxy-propyl] phosphate

Systemtic Name: sodium [(2S)-2,3-bis(oxidanyl)propyl] [(2R)-2-octadecanoylsulfanyl-3-octadecoxy-propyl] phosphate Openeye Name: sodium [(2S)-2,3-dihydroxypropyl] [(2R)-2-octadecanoylsulfanyl-3-octadecoxy-propyl] phosphate CAS Name: sodium [(2S)-2,3-dihydroxypropyl] [(2R)-3-octadecoxy-2-(1-oxooctadecylthio)propyl] phosphate IUPAC Name: sodium [(2S)-2,3-dihydroxypropyl] [(2R)-2-octadecanoylsulfanyl-3-octadecoxypropyl] phosphate Traditional Name: sodium [(2S)-2,3-dihydroxypropyl] [(2R)-2-(stearoylthio)-3-stearyloxy-propyl] phosphate Formula: C42H84NaO8PS MolecularWeight: 803.140091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC(CO)O)SC(=O)CCCCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OC[C@H](CO)O)SC(=O)CCCCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C42H85O8PS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48-38-41(39-50-51(46,47)49-37-40(44)36-43)52-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h40-41,43-44H,3-39H2,1-2H3,(H,46,47);/q;+1/p-1/t40-,41+;/m0./s1