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

Systemtic Name: [2-(1-sulfanylhex-2-ynyl)phenyl] ethanoate Openeye Name: [2-(1-sulfanylhex-2-ynyl)phenyl] acetate CAS Name: acetic acid [2-(1-mercaptohex-2-ynyl)phenyl] ester IUPAC Name: [2-(1-sulfanylhex-2-ynyl)phenyl] acetate Traditional Name: acetic acid [2-(1-mercaptohex-2-ynyl)phenyl] ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O2S/c1-3-4-5-10-14(17)12-8-6-7-9-13(12)16-11(2)15/h6-9,14,17H,3-4H2,1-2H3