S-(6-phenylhex-5-yn-3-yl) ethanethioate

Systemtic Name: S-(6-phenylhex-5-yn-3-yl) ethanethioate Openeye Name: S-(1-ethyl-4-phenyl-but-3-ynyl) ethanethioate CAS Name: ethanethioic acid S-(6-phenylhex-5-yn-3-yl) ester IUPAC Name: S-(6-phenylhex-5-yn-3-yl) ethanethioate Traditional Name: ethanethioic acid S-(1-ethyl-4-phenyl-but-3-ynyl) ester Formula: C14H16OS MolecularWeight: 232.34124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#CC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

CCC(CC#CC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C14H16OS/c1-3-14(16-12(2)15)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,3,11H2,1-2H3