5-(phenylsulfinyl)oct-6-yn-3-yl ethanoate

Systemtic Name: 5-(phenylsulfinyl)oct-6-yn-3-yl ethanoate Openeye Name: [3-(benzenesulfinyl)-1-ethyl-hex-4-ynyl] acetate CAS Name: acetic acid 5-(benzenesulfinyl)oct-6-yn-3-yl ester IUPAC Name: 5-(benzenesulfinyl)oct-6-yn-3-yl acetate Traditional Name: acetic acid [3-(benzenesulfinyl)-1-ethyl-hex-4-ynyl] ester Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O3S/c1-4-9-16(12-14(5-2)19-13(3)17)20(18)15-10-7-6-8-11-15/h6-8,10-11,14,16H,5,12H2,1-3H3