lithium [(2R)-3-hexoxy-2-(phenylcarbonylsulfanyl)propyl] methyl phosphate

Systemtic Name: lithium [(2R)-3-hexoxy-2-(phenylcarbonylsulfanyl)propyl] methyl phosphate Openeye Name: lithium [(2R)-2-benzoylsulfanyl-3-hexoxy-propyl] methyl phosphate CAS Name: lithium [(2R)-2-(benzoylthio)-3-hexoxypropyl] methyl phosphate IUPAC Name: lithium [(2R)-2-benzoylsulfanyl-3-hexoxypropyl] methyl phosphate Traditional Name: lithium [(2R)-2-(benzoylthio)-3-hexoxy-propyl] methyl phosphate Formula: C17H26LiO6PS MolecularWeight: 396.364501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[Li+].CCCCCCOC[C@H](COP(=O)([O-])OC)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H27O6PS.Li/c1-3-4-5-9-12-22-13-16(14-23-24(19,20)21-2)25-17(18)15-10-7-6-8-11-15;/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3,(H,19,20);/q;+1/p-1/t16-;/m1./s1