lithium [(2R)-2-decanoylsulfanyl-3-phenylmethoxy-propyl] methyl phosphate

Systemtic Name: lithium [(2R)-2-decanoylsulfanyl-3-phenylmethoxy-propyl] methyl phosphate Openeye Name: lithium [(2R)-3-benzyloxy-2-decanoylsulfanyl-propyl] methyl phosphate CAS Name: lithium methyl [(2R)-2-(1-oxodecylthio)-3-phenylmethoxypropyl] phosphate IUPAC Name: lithium [(2R)-2-decanoylsulfanyl-3-phenylmethoxypropyl] methyl phosphate Traditional Name: lithium [(2R)-3-benzoxy-2-(caprylthio)propyl] methyl phosphate Formula: C21H34LiO6PS MolecularWeight: 452.470821

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCCC(=O)SC(COCC1=CC=CC=C1)COP(=O)([O-])OC

Isomeric SMILES

[Li+].CCCCCCCCCC(=O)S[C@H](COCC1=CC=CC=C1)COP(=O)([O-])OC

InChI

InChI=1S/C21H35O6PS.Li/c1-3-4-5-6-7-8-12-15-21(22)29-20(18-27-28(23,24)25-2)17-26-16-19-13-10-9-11-14-19;/h9-11,13-14,20H,3-8,12,15-18H2,1-2H3,(H,23,24);/q;+1/p-1/t20-;/m1./s1