(2-oct-2-ynylsulfanylphenyl) ethanoate

Systemtic Name: (2-oct-2-ynylsulfanylphenyl) ethanoate Openeye Name: (2-oct-2-ynylsulfanylphenyl) acetate CAS Name: acetic acid [2-(oct-2-ynylthio)phenyl] ester IUPAC Name: (2-oct-2-ynylsulfanylphenyl) acetate Traditional Name: acetic acid [2-(oct-2-ynylthio)phenyl] ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCSC1=CC=CC=C1OC(=O)C

Isomeric SMILES

CCCCCC#CCSC1=CC=CC=C1OC(=O)C

InChI

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