(2-hept-2-ynylsulfanylphenyl) propanoate

Systemtic Name: (2-hept-2-ynylsulfanylphenyl) propanoate Openeye Name: (2-hept-2-ynylsulfanylphenyl) propanoate CAS Name: propanoic acid [2-(hept-2-ynylthio)phenyl] ester IUPAC Name: (2-hept-2-ynylsulfanylphenyl) propanoate Traditional Name: propionic acid [2-(hept-2-ynylthio)phenyl] ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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