5-phenylsulfanyloct-6-yn-3-yl ethanoate

Systemtic Name: 5-phenylsulfanyloct-6-yn-3-yl ethanoate Openeye Name: (1-ethyl-3-phenylsulfanyl-hex-4-ynyl) acetate CAS Name: acetic acid 5-(phenylthio)oct-6-yn-3-yl ester IUPAC Name: 5-phenylsulfanyloct-6-yn-3-yl acetate Traditional Name: acetic acid [1-ethyl-3-(phenylthio)hex-4-ynyl] ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C#CC)SC1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCC(CC(C#CC)SC1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C16H20O2S/c1-4-9-16(12-14(5-2)18-13(3)17)19-15-10-7-6-8-11-15/h6-8,10-11,14,16H,5,12H2,1-3H3