lithium [(2R)-2-decanoylsulfanyl-3-[(4-phenoxyphenyl)methoxy]propyl] methyl phosphate

Systemtic Name: lithium [(2R)-2-decanoylsulfanyl-3-[(4-phenoxyphenyl)methoxy]propyl] methyl phosphate Openeye Name: lithium [(2R)-2-decanoylsulfanyl-3-[(4-phenoxyphenyl)methoxy]propyl] methyl phosphate CAS Name: lithium methyl [(2R)-2-(1-oxodecylthio)-3-[(4-phenoxyphenyl)methoxy]propyl] phosphate IUPAC Name: lithium [(2R)-2-decanoylsulfanyl-3-[(4-phenoxyphenyl)methoxy]propyl] methyl phosphate Traditional Name: lithium [(2R)-2-(caprylthio)-3-(4-phenoxybenzyl)oxy-propyl] methyl phosphate Formula: C27H38LiO7PS MolecularWeight: 544.566181

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCCC(=O)SC(COCC1=CC=C(C=C1)OC2=CC=CC=C2)COP(=O)([O-])OC

Isomeric SMILES

[Li+].CCCCCCCCCC(=O)S[C@H](COCC1=CC=C(C=C1)OC2=CC=CC=C2)COP(=O)([O-])OC

InChI

InChI=1S/C27H39O7PS.Li/c1-3-4-5-6-7-8-12-15-27(28)36-26(22-33-35(29,30)31-2)21-32-20-23-16-18-25(19-17-23)34-24-13-10-9-11-14-24;/h9-11,13-14,16-19,26H,3-8,12,15,20-22H2,1-2H3,(H,29,30);/q;+1/p-1/t26-;/m1./s1