O-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2,2,3-tridodecylpentadecanethioate

Systemtic Name: O-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2,2,3-tridodecylpentadecanethioate Openeye Name: O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-tridodecylpentadecanethioate CAS Name: 2,2,3-tridodecylpentadecanethioic acid O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-tridodecylpentadecanethioate Traditional Name: 2,2,3-trilaurylpentadecanethioic acid O-(3-hydroxy-2,2-dimethylol-propyl) ester Formula: C56H112O4S MolecularWeight: 881.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=S)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=S)OCC(CO)(CO)CO

InChI

InChI=1S/C56H112O4S/c1-5-9-13-17-21-25-29-33-37-41-45-53(46-42-38-34-30-26-22-18-14-10-6-2)56(54(61)60-52-55(49-57,50-58)51-59,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h53,57-59H,5-52H2,1-4H3