(2-oct-3-yn-2-ylsulfanylphenyl) ethanoate

Systemtic Name: (2-oct-3-yn-2-ylsulfanylphenyl) ethanoate Openeye Name: [2-(1-methylhept-2-ynylsulfanyl)phenyl] acetate CAS Name: acetic acid [2-(oct-3-yn-2-ylthio)phenyl] ester IUPAC Name: (2-oct-3-yn-2-ylsulfanylphenyl) acetate Traditional Name: acetic acid [2-(1-methylhept-2-ynylthio)phenyl] ester Formula: C16H20O2S MolecularWeight: 276.3938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C)SC1=CC=CC=C1OC(=O)C

Isomeric SMILES

CCCCC#CC(C)SC1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C16H20O2S/c1-4-5-6-7-10-13(2)19-16-12-9-8-11-15(16)18-14(3)17/h8-9,11-13H,4-6H2,1-3H3