(2-hept-2-ynylsulfanylphenyl) ethanoate

Systemtic Name: (2-hept-2-ynylsulfanylphenyl) ethanoate Openeye Name: (2-hept-2-ynylsulfanylphenyl) acetate CAS Name: acetic acid [2-(hept-2-ynylthio)phenyl] ester IUPAC Name: (2-hept-2-ynylsulfanylphenyl) acetate Traditional Name: acetic acid [2-(hept-2-ynylthio)phenyl] ester Formula: C15H18O2S MolecularWeight: 261.367954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC#CCSC1=CC=CC=C1O[11C](=O)C

InChI

InChI=1S/C15H18O2S/c1-3-4-5-6-9-12-18-15-11-8-7-10-14(15)17-13(2)16/h7-8,10-11H,3-5,12H2,1-2H3/i13-1