S-[(2S)-2-heptanoylsulfanyl-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] heptanethioate

Systemtic Name: S-[(2S)-2-heptanoylsulfanyl-3-[methoxy(oxidanyl)phosphoryl]oxy-propyl] heptanethioate Openeye Name: S-[(2S)-2-heptanoylsulfanyl-3-[hydroxy(methoxy)phosphoryl]oxy-propyl] heptanethioate CAS Name: heptanethioic acid S-[(2S)-3-[hydroxy(methoxy)phosphoryl]oxy-2-(1-oxoheptylthio)propyl] ester IUPAC Name: S-[(2S)-2-heptanoylsulfanyl-3-[hydroxy(methoxy)phosphoryl]oxypropyl] heptanethioate Traditional Name: heptanethioic acid S-[(2S)-2-(enanthylthio)-3-[hydroxy(methoxy)phosphoryl]oxy-propyl] ester Formula: C18H35O6PS2 MolecularWeight: 442.570661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35O6PS2/c1-4-6-8-10-12-17(19)26-15-16(14-24-25(21,22)23-3)27-18(20)13-11-9-7-5-2/h16H,4-15H2,1-3H3,(H,21,22)/t16-/m0/s1