[1-[2-hydroxyethyloxy(oxidanyl)phosphoryl]oxy-3-octanoylsulfanyl-propan-2-yl] octanoate

Systemtic Name: [1-[2-hydroxyethyloxy(oxidanyl)phosphoryl]oxy-3-octanoylsulfanyl-propan-2-yl] octanoate Openeye Name: [1-[[hydroxy(2-hydroxyethoxy)phosphoryl]oxymethyl]-2-octanoylsulfanyl-ethyl] octanoate CAS Name: octanoic acid [1-[hydroxy(2-hydroxyethoxy)phosphoryl]oxy-3-(1-oxooctylthio)propan-2-yl] ester IUPAC Name: [1-[hydroxy(2-hydroxyethoxy)phosphoryl]oxy-3-octanoylsulfanylpropan-2-yl] octanoate Traditional Name: caprylic acid [1-[(caprylylthio)methyl]-2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxy-ethyl] ester Formula: C21H41O8PS MolecularWeight: 484.584201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(COP(=O)(O)OCCO)CSC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC(COP(=O)(O)OCCO)CSC(=O)CCCCCCC

InChI

InChI=1S/C21H41O8PS/c1-3-5-7-9-11-13-20(23)29-19(17-28-30(25,26)27-16-15-22)18-31-21(24)14-12-10-8-6-4-2/h19,22H,3-18H2,1-2H3,(H,25,26)