[1-hexanoylsulfanyl-3-[2-hydroxyethyloxy(oxidanyl)phosphoryl]oxy-propan-2-yl] hexanoate

Systemtic Name: [1-hexanoylsulfanyl-3-[2-hydroxyethyloxy(oxidanyl)phosphoryl]oxy-propan-2-yl] hexanoate Openeye Name: [1-(hexanoylsulfanylmethyl)-2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxy-ethyl] hexanoate CAS Name: hexanoic acid [1-[hydroxy(2-hydroxyethoxy)phosphoryl]oxy-3-(1-oxohexylthio)propan-2-yl] ester IUPAC Name: [1-hexanoylsulfanyl-3-[hydroxy(2-hydroxyethoxy)phosphoryl]oxypropan-2-yl] hexanoate Traditional Name: hexanoic acid [1-[(caproylthio)methyl]-2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxy-ethyl] ester Formula: C17H33O8PS MolecularWeight: 428.477881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(COP(=O)(O)OCCO)CSC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OC(COP(=O)(O)OCCO)CSC(=O)CCCCC

InChI

InChI=1S/C17H33O8PS/c1-3-5-7-9-16(19)25-15(13-24-26(21,22)23-12-11-18)14-27-17(20)10-8-6-4-2/h15,18H,3-14H2,1-2H3,(H,21,22)