ethyl (3S,4R)-4-methyl-3-oxidanyl-6-(2,5,5-trimethyl-1,3-dioxan-2-yl)hexanedithioate

Systemtic Name: ethyl (3S,4R)-4-methyl-3-oxidanyl-6-(2,5,5-trimethyl-1,3-dioxan-2-yl)hexanedithioate Openeye Name: ethyl (3S,4R)-3-hydroxy-4-methyl-6-(2,5,5-trimethyl-1,3-dioxan-2-yl)hexanedithioate CAS Name: (3S,4R)-3-hydroxy-4-methyl-6-(2,5,5-trimethyl-1,3-dioxan-2-yl)hexanedithioic acid ethyl ester IUPAC Name: ethyl (3S,4R)-3-hydroxy-4-methyl-6-(2,5,5-trimethyl-1,3-dioxan-2-yl)hexanedithioate Traditional Name: (3S,4R)-3-hydroxy-4-methyl-6-(2,5,5-trimethyl-1,3-dioxan-2-yl)hexanedithioic acid ethyl ester Formula: C16H30O3S2 MolecularWeight: 334.5376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)CC(C(C)CCC1(OCC(CO1)(C)C)C)O

Isomeric SMILES

CCSC(=S)C[C@@H]([C@H](C)CCC1(OCC(CO1)(C)C)C)O

InChI

InChI=1S/C16H30O3S2/c1-6-21-14(20)9-13(17)12(2)7-8-16(5)18-10-15(3,4)11-19-16/h12-13,17H,6-11H2,1-5H3/t12-,13+/m1/s1