(1-hexanoylsulfanyl-3-oxidanyl-propan-2-yl) hexanoate

Systemtic Name: (1-hexanoylsulfanyl-3-oxidanyl-propan-2-yl) hexanoate Openeye Name: [1-(hexanoylsulfanylmethyl)-2-hydroxy-ethyl] hexanoate CAS Name: hexanoic acid [1-hydroxy-3-(1-oxohexylthio)propan-2-yl] ester IUPAC Name: (1-hexanoylsulfanyl-3-hydroxypropan-2-yl) hexanoate Traditional Name: hexanoic acid [1-[(caproylthio)methyl]-2-hydroxy-ethyl] ester Formula: C15H28O4S MolecularWeight: 304.44542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(CO)CSC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OC(CO)CSC(=O)CCCCC

InChI

InChI=1S/C15H28O4S/c1-3-5-7-9-14(17)19-13(11-16)12-20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3