O-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 2,2-dioctadecylhenicosanethioate

Systemtic Name: O-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 2,2-dioctadecylhenicosanethioate Openeye Name: O-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] 2,2-dioctadecylhenicosanethioate CAS Name: 2,2-dioctadecylheneicosanethioic acid O-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: O-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2,2-dioctadecylhenicosanethioate Traditional Name: 2,2-distearylheneicosanethioic acid O-(3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C62H124O3S MolecularWeight: 949.71116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C62H124O3S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-62(60(66)65-59-61(4,57-63)58-64,54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h63-64H,5-59H2,1-4H3