[2-(1-sulfanyloct-2-ynyl)phenyl] ethanoate

Systemtic Name: [2-(1-sulfanyloct-2-ynyl)phenyl] ethanoate Openeye Name: [2-(1-sulfanyloct-2-ynyl)phenyl] acetate CAS Name: acetic acid [2-(1-mercaptooct-2-ynyl)phenyl] ester IUPAC Name: [2-(1-sulfanyloct-2-ynyl)phenyl] acetate Traditional Name: acetic acid [2-(1-mercaptooct-2-ynyl)phenyl] ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(C1=CC=CC=C1OC(=O)C)S

Isomeric SMILES

CCCCCC#CC(C1=CC=CC=C1OC(=O)C)S

InChI

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