S-[(2S)-3-dimethoxyphosphoryloxy-2-octanoylsulfanyl-propyl] octanethioate

Systemtic Name: S-[(2S)-3-dimethoxyphosphoryloxy-2-octanoylsulfanyl-propyl] octanethioate Openeye Name: S-[(2S)-3-dimethoxyphosphoryloxy-2-octanoylsulfanyl-propyl] octanethioate CAS Name: octanethioic acid S-[(2S)-3-dimethoxyphosphoryloxy-2-(1-oxooctylthio)propyl] ester IUPAC Name: S-[(2S)-3-dimethoxyphosphoryloxy-2-octanoylsulfanylpropyl] octanethioate Traditional Name: octanethioic acid S-[(2S)-2-(caprylylthio)-3-dimethoxyphosphoryloxy-propyl] ester Formula: C21H41O6PS2 MolecularWeight: 484.650401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)SCC(COP(=O)(OC)OC)SC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)SC[C@H](COP(=O)(OC)OC)SC(=O)CCCCCCC

InChI

InChI=1S/C21H41O6PS2/c1-5-7-9-11-13-15-20(22)29-18-19(17-27-28(24,25-3)26-4)30-21(23)16-14-12-10-8-6-2/h19H,5-18H2,1-4H3/t19-/m0/s1