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

Systemtic Name: O-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 2,2-didodecylpentadecanethioate Openeye Name: O-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] 2,2-didodecylpentadecanethioate CAS Name: 2,2-didodecylpentadecanethioic acid O-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: O-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2,2-didodecylpentadecanethioate Traditional Name: 2,2-dilaurylpentadecanethioic acid O-(3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C44H88O3S MolecularWeight: 697.23272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H88O3S/c1-5-8-11-14-17-20-23-26-29-32-35-38-44(42(48)47-41-43(4,39-45)40-46,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3/h45-46H,5-41H2,1-4H3