heptadecyl 2-phenylsulfanylethanoate

Systemtic Name: heptadecyl 2-phenylsulfanylethanoate Openeye Name: heptadecyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid heptadecyl ester IUPAC Name: heptadecyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid heptadecyl ester Formula: C25H42O2S MolecularWeight: 406.66478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)CSC1=CC=CC=C1

InChI

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