S-[(2S)-2-hexanoylsulfanyl-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] hexanethioate

Systemtic Name: S-[(2S)-2-hexanoylsulfanyl-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] hexanethioate Openeye Name: S-[(2S)-2-hexanoylsulfanyl-3-[hydroxy(methoxy)phosphoryl]oxy-propyl] hexanethioate CAS Name: hexanethioic acid S-[(2S)-3-[hydroxy(methoxy)phosphoryl]oxy-2-(1-oxohexylthio)propyl] ester IUPAC Name: S-[(2S)-2-hexanoylsulfanyl-3-[hydroxy(methoxy)phosphoryl]oxypropyl] hexanethioate Traditional Name: hexanethioic acid S-[(2S)-2-(caproylthio)-3-[hydroxy(methoxy)phosphoryl]oxy-propyl] ester Formula: C16H31O6PS2 MolecularWeight: 414.517501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SCC(COP(=O)(O)OC)SC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)SC[C@H](COP(=O)(O)OC)SC(=O)CCCCC

InChI

InChI=1S/C16H31O6PS2/c1-4-6-8-10-15(17)24-13-14(12-22-23(19,20)21-3)25-16(18)11-9-7-5-2/h14H,4-13H2,1-3H3,(H,19,20)/t14-/m0/s1