(1-phenyl-1-sulfanyl-hexan-2-yl) ethanoate

Systemtic Name: (1-phenyl-1-sulfanyl-hexan-2-yl) ethanoate Openeye Name: 1-[phenyl(sulfanyl)methyl]pentyl acetate CAS Name: acetic acid (1-mercapto-1-phenylhexan-2-yl) ester IUPAC Name: (1-phenyl-1-sulfanylhexan-2-yl) acetate Traditional Name: acetic acid 1-[mercapto(phenyl)methyl]pentyl ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C1=CC=CC=C1)S)OC(=O)C

Isomeric SMILES

CCCCC(C(C1=CC=CC=C1)S)OC(=O)C

InChI

InChI=1S/C14H20O2S/c1-3-4-10-13(16-11(2)15)14(17)12-8-6-5-7-9-12/h5-9,13-14,17H,3-4,10H2,1-2H3