S-[(2S)-3-[methoxy(oxidanyl)phosphoryl]oxy-2-nonanoylsulfanyl-propyl] nonanethioate

Systemtic Name: S-[(2S)-3-[methoxy(oxidanyl)phosphoryl]oxy-2-nonanoylsulfanyl-propyl] nonanethioate Openeye Name: S-[(2S)-3-[hydroxy(methoxy)phosphoryl]oxy-2-nonanoylsulfanyl-propyl] nonanethioate CAS Name: nonanethioic acid S-[(2S)-3-[hydroxy(methoxy)phosphoryl]oxy-2-(1-oxononylthio)propyl] ester IUPAC Name: S-[(2S)-3-[hydroxy(methoxy)phosphoryl]oxy-2-nonanoylsulfanylpropyl] nonanethioate Traditional Name: nonanethioic acid S-[(2S)-3-[hydroxy(methoxy)phosphoryl]oxy-2-(pelargonylthio)propyl] ester Formula: C22H43O6PS2 MolecularWeight: 498.676981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H43O6PS2/c1-4-6-8-10-12-14-16-21(23)30-19-20(18-28-29(25,26)27-3)31-22(24)17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3,(H,25,26)/t20-/m0/s1