(5-methyl-2-octylsulfanyl-hexyl) 2-oxidanylethanoate

Systemtic Name: (5-methyl-2-octylsulfanyl-hexyl) 2-oxidanylethanoate Openeye Name: (5-methyl-2-octylsulfanyl-hexyl) 2-hydroxyacetate CAS Name: 2-hydroxyacetic acid [5-methyl-2-(octylthio)hexyl] ester IUPAC Name: (5-methyl-2-octylsulfanylhexyl) 2-hydroxyacetate Traditional Name: 2-hydroxyacetic acid [5-methyl-2-(octylthio)hexyl] ester Formula: C17H34O3S MolecularWeight: 318.51506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CCC(C)C)COC(=O)CO

Isomeric SMILES

CCCCCCCCSC(CCC(C)C)COC(=O)CO

InChI

InChI=1S/C17H34O3S/c1-4-5-6-7-8-9-12-21-16(11-10-15(2)3)14-20-17(19)13-18/h15-16,18H,4-14H2,1-3H3