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

Systemtic Name: O-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2,2,3-trioctylundecanethioate Openeye Name: O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-trioctylundecanethioate CAS Name: 2,2,3-trioctylundecanethioic acid O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-trioctylundecanethioate Traditional Name: 2,2,3-trioctylundecanethioic acid O-(3-hydroxy-2,2-dimethylol-propyl) ester Formula: C40H80O4S MolecularWeight: 657.1258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(=S)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(=S)OCC(CO)(CO)CO

InChI

InChI=1S/C40H80O4S/c1-5-9-13-17-21-25-29-37(30-26-22-18-14-10-6-2)40(31-27-23-19-15-11-7-3,32-28-24-20-16-12-8-4)38(45)44-36-39(33-41,34-42)35-43/h37,41-43H,5-36H2,1-4H3