[2-(1-sulfanylhept-3-ynyl)phenyl] ethanoate

Systemtic Name: [2-(1-sulfanylhept-3-ynyl)phenyl] ethanoate Openeye Name: [2-(1-sulfanylhept-3-ynyl)phenyl] acetate CAS Name: acetic acid [2-(1-mercaptohept-3-ynyl)phenyl] ester IUPAC Name: [2-(1-sulfanylhept-3-ynyl)phenyl] acetate Traditional Name: acetic acid [2-(1-mercaptohept-3-ynyl)phenyl] ester Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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