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

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2-octylsulfanylpropanoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-octylsulfanylpropanoate CAS Name: 2-(octylthio)propanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-octylsulfanylpropanoate Traditional Name: 2-(octylthio)propionic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C16H32O5S MolecularWeight: 336.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(C)C(=O)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCCSC(C)C(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C16H32O5S/c1-3-4-5-6-7-8-9-22-14(2)15(20)21-13-16(10-17,11-18)12-19/h14,17-19H,3-13H2,1-2H3