1-(4-methylsulfanylphenyl)-2-octan-2-yloxy-ethanone

Systemtic Name: 1-(4-methylsulfanylphenyl)-2-octan-2-yloxy-ethanone Openeye Name: 2-(1-methylheptoxy)-1-(4-methylsulfanylphenyl)ethanone CAS Name: 1-[4-(methylthio)phenyl]-2-octan-2-yloxyethanone IUPAC Name: 1-(4-methylsulfanylphenyl)-2-octan-2-yloxyethanone Traditional Name: 2-(1-methylheptoxy)-1-[4-(methylthio)phenyl]ethanone Formula: C17H26O2S MolecularWeight: 294.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CCCCCCC(C)OCC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H26O2S/c1-4-5-6-7-8-14(2)19-13-17(18)15-9-11-16(20-3)12-10-15/h9-12,14H,4-8,13H2,1-3H3