phenethylsulfanyl ethanoate

Systemtic Name: phenethylsulfanyl ethanoate Openeye Name: phenethylsulfanyl acetate CAS Name: acetic acid (phenethylthio) ester IUPAC Name: phenethylsulfanyl acetate Traditional Name: acetic acid (phenethylthio) ester Formula: C10H12O2S MolecularWeight: 196.26608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OSCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)OSCCC1=CC=CC=C1

InChI

InChI=1S/C10H12O2S/c1-9(11)12-13-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3