[(2S,3R)-1,2-bis(oxidanyl)hexan-3-yl] 2-phenylsulfanylpropanoate

Systemtic Name: [(2S,3R)-1,2-bis(oxidanyl)hexan-3-yl] 2-phenylsulfanylpropanoate Openeye Name: [(1R)-1-[(1S)-1,2-dihydroxyethyl]butyl] 2-phenylsulfanylpropanoate CAS Name: 2-(phenylthio)propanoic acid [(2S,3R)-1,2-dihydroxyhexan-3-yl] ester IUPAC Name: [(2S,3R)-1,2-dihydroxyhexan-3-yl] 2-phenylsulfanylpropanoate Traditional Name: 2-(phenylthio)propionic acid [(1R)-1-[(1S)-1,2-dihydroxyethyl]butyl] ester Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CO)O)OC(=O)C(C)SC1=CC=CC=C1

Isomeric SMILES

CCC[C@H]([C@H](CO)O)OC(=O)C(C)SC1=CC=CC=C1

InChI

InChI=1S/C15H22O4S/c1-3-7-14(13(17)10-16)19-15(18)11(2)20-12-8-5-4-6-9-12/h4-6,8-9,11,13-14,16-17H,3,7,10H2,1-2H3/t11?,13-,14+/m0/s1