[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2,2,3-tridodecyl-3-sulfanyl-pentadecanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2,2,3-tridodecyl-3-sulfanyl-pentadecanoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-tridodecyl-3-sulfanyl-pentadecanoate CAS Name: 2,2,3-tridodecyl-3-mercaptopentadecanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-tridodecyl-3-sulfanylpentadecanoate Traditional Name: 2,2,3-trilauryl-3-mercapto-pentadecanoic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C56H112O5S MolecularWeight: 897.55048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H112O5S/c1-5-9-13-17-21-25-29-33-37-41-45-55(53(60)61-52-54(49-57,50-58)51-59,46-42-38-34-30-26-22-18-14-10-6-2)56(62,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h57-59,62H,5-52H2,1-4H3