(phenylmethylsulfanyl) octadecanoate

Systemtic Name: (phenylmethylsulfanyl) octadecanoate Openeye Name: benzylsulfanyl octadecanoate CAS Name: octadecanoic acid (phenylmethylthio) ester IUPAC Name: benzylsulfanyl octadecanoate Traditional Name: stearic acid (benzylthio) ester Formula: C25H42O2S MolecularWeight: 406.66478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OSCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OSCC1=CC=CC=C1

InChI

InChI=1S/C25H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-28-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3