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

Systemtic Name: O-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 2,2-dibutylheptanethioate Openeye Name: O-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] 2,2-dibutylheptanethioate CAS Name: 2,2-dibutylheptanethioic acid O-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: O-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2,2-dibutylheptanethioate Traditional Name: 2,2-dibutylheptanethioic acid O-(3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C20H40O3S MolecularWeight: 360.5948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC)(CCCC)C(=S)OCC(C)(CO)CO

Isomeric SMILES

CCCCCC(CCCC)(CCCC)C(=S)OCC(C)(CO)CO

InChI

InChI=1S/C20H40O3S/c1-5-8-11-14-20(12-9-6-2,13-10-7-3)18(24)23-17-19(4,15-21)16-22/h21-22H,5-17H2,1-4H3