[(3R)-3-[(2R)-2-phenylpropanoyl]sulfanylhexyl] ethanoate

Systemtic Name: [(3R)-3-[(2R)-2-phenylpropanoyl]sulfanylhexyl] ethanoate Openeye Name: [(3R)-3-[(2R)-2-phenylpropanoyl]sulfanylhexyl] acetate CAS Name: acetic acid [(3R)-3-[[(2R)-1-oxo-2-phenylpropyl]thio]hexyl] ester IUPAC Name: [(3R)-3-[(2R)-2-phenylpropanoyl]sulfanylhexyl] acetate Traditional Name: acetic acid [(3R)-3-[[(2R)-2-phenylpropanoyl]thio]hexyl] ester Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC(=O)C)SC(=O)C(C)C1=CC=CC=C1

Isomeric SMILES

CCC[C@H](CCOC(=O)C)SC(=O)[C@H](C)C1=CC=CC=C1

InChI

InChI=1S/C17H24O3S/c1-4-8-16(11-12-20-14(3)18)21-17(19)13(2)15-9-6-5-7-10-15/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3/t13-,16-/m1/s1