(phenylmethyl) 3-dodecylsulfanylpropanoate

Systemtic Name: (phenylmethyl) 3-dodecylsulfanylpropanoate Openeye Name: benzyl 3-dodecylsulfanylpropanoate CAS Name: 3-(dodecylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-dodecylsulfanylpropanoate Traditional Name: 3-(laurylthio)propionic acid benzyl ester Formula: C22H36O2S MolecularWeight: 364.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCSCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H36O2S/c1-2-3-4-5-6-7-8-9-10-14-18-25-19-17-22(23)24-20-21-15-12-11-13-16-21/h11-13,15-16H,2-10,14,17-20H2,1H3