(2-hexylsulfanylphenyl) ethanoate

Systemtic Name: (2-hexylsulfanylphenyl) ethanoate Openeye Name: (2-hexylsulfanylphenyl) acetate CAS Name: acetic acid [2-(hexylthio)phenyl] ester IUPAC Name: (2-hexylsulfanylphenyl) acetate Traditional Name: acetic acid [2-(hexylthio)phenyl] ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=CC=C1OC(=O)C

Isomeric SMILES

CCCCCCSC1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C14H20O2S/c1-3-4-5-8-11-17-14-10-7-6-9-13(14)16-12(2)15/h6-7,9-10H,3-5,8,11H2,1-2H3