hex-4-yn-3-yl 2-phenylsulfanylethanoate

Systemtic Name: hex-4-yn-3-yl 2-phenylsulfanylethanoate Openeye Name: 1-ethylbut-2-ynyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid hex-4-yn-3-yl ester IUPAC Name: hex-4-yn-3-yl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid 1-ethylbut-2-ynyl ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCC(C#CC)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C14H16O2S/c1-3-8-12(4-2)16-14(15)11-17-13-9-6-5-7-10-13/h5-7,9-10,12H,4,11H2,1-2H3