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

Systemtic Name: O-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2,2,3-trioctadecylhenicosanethioate Openeye Name: O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-trioctadecylhenicosanethioate CAS Name: 2,2,3-trioctadecylheneicosanethioic acid O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-trioctadecylhenicosanethioate Traditional Name: 2,2,3-tristearylheneicosanethioic acid O-(3-hydroxy-2,2-dimethylol-propyl) ester Formula: C80H160O4S MolecularWeight: 1218.189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)C(=S)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)C(=S)OCC(CO)(CO)CO

InChI

InChI=1S/C80H160O4S/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-77(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)80(78(85)84-76-79(73-81,74-82)75-83,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h77,81-83H,5-76H2,1-4H3