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

Systemtic Name: S-[(2S)-2-hexanoylsulfanyl-3-oxidanyl-propyl] hexanethioate Openeye Name: S-[(2S)-2-hexanoylsulfanyl-3-hydroxy-propyl] hexanethioate CAS Name: hexanethioic acid S-[(2S)-3-hydroxy-2-(1-oxohexylthio)propyl] ester IUPAC Name: S-[(2S)-2-hexanoylsulfanyl-3-hydroxypropyl] hexanethioate Traditional Name: hexanethioic acid S-[(2S)-2-(caproylthio)-3-hydroxy-propyl] ester Formula: C15H28O3S2 MolecularWeight: 320.51102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SCC(CO)SC(=O)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C15H28O3S2/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3/t13-/m0/s1