dodecyl 3-phenylsulfanylpropanoate

Systemtic Name: dodecyl 3-phenylsulfanylpropanoate Openeye Name: dodecyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid dodecyl ester IUPAC Name: dodecyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid lauryl ester Formula: C21H34O2S MolecularWeight: 350.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C21H34O2S/c1-2-3-4-5-6-7-8-9-10-14-18-23-21(22)17-19-24-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3