S-[(2S)-2-butanoylsulfanyl-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] butanethioate

Systemtic Name: S-[(2S)-2-butanoylsulfanyl-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] butanethioate Openeye Name: S-[(2S)-2-butanoylsulfanyl-3-[hydroxy(methoxy)phosphoryl]oxy-propyl] butanethioate CAS Name: butanethioic acid S-[(2S)-3-[hydroxy(methoxy)phosphoryl]oxy-2-(1-oxobutylthio)propyl] ester IUPAC Name: S-[(2S)-2-butanoylsulfanyl-3-[hydroxy(methoxy)phosphoryl]oxypropyl] butanethioate Traditional Name: butanethioic acid S-[(2S)-2-(butyrylthio)-3-[hydroxy(methoxy)phosphoryl]oxy-propyl] ester Formula: C12H23O6PS2 MolecularWeight: 358.411181

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SCC(COP(=O)(O)OC)SC(=O)CCC

Isomeric SMILES

CCCC(=O)SC[C@H](COP(=O)(O)OC)SC(=O)CCC

InChI

InChI=1S/C12H23O6PS2/c1-4-6-11(13)20-9-10(21-12(14)7-5-2)8-18-19(15,16)17-3/h10H,4-9H2,1-3H3,(H,15,16)/t10-/m0/s1