ethyl (4R,5R)-4-ethylsulfanylcarbonyl-5-oxidanyl-undecanoate

Systemtic Name: ethyl (4R,5R)-4-ethylsulfanylcarbonyl-5-oxidanyl-undecanoate Openeye Name: ethyl (4R,5R)-4-ethylsulfanylcarbonyl-5-hydroxy-undecanoate CAS Name: (4R,5R)-4-[(ethylthio)-oxomethyl]-5-hydroxyundecanoic acid ethyl ester IUPAC Name: ethyl (4R,5R)-4-ethylsulfanylcarbonyl-5-hydroxyundecanoate Traditional Name: (4R,5R)-4-(ethylthio)carbonyl-5-hydroxy-undecanoic acid ethyl ester Formula: C16H30O4S MolecularWeight: 318.472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCC(=O)OCC)C(=O)SCC)O

Isomeric SMILES

CCCCCC[C@H]([C@@H](CCC(=O)OCC)C(=O)SCC)O

InChI

InChI=1S/C16H30O4S/c1-4-7-8-9-10-14(17)13(16(19)21-6-3)11-12-15(18)20-5-2/h13-14,17H,4-12H2,1-3H3/t13-,14-/m1/s1