dodecyl 3-(phenylmethylsulfanyl)propanoate

Systemtic Name: dodecyl 3-(phenylmethylsulfanyl)propanoate Openeye Name: dodecyl 3-benzylsulfanylpropanoate CAS Name: 3-(phenylmethylthio)propanoic acid dodecyl ester IUPAC Name: dodecyl 3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)propionic acid lauryl ester Formula: C22H36O2S MolecularWeight: 364.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCSCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCSCC1=CC=CC=C1

InChI

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