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

Systemtic Name: [(2S,3R)-1,2-bis(oxidanyl)hexan-3-yl] 2-phenylsulfanylethanoate Openeye Name: [(1R)-1-[(1S)-1,2-dihydroxyethyl]butyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(2S,3R)-1,2-dihydroxyhexan-3-yl] ester IUPAC Name: [(2S,3R)-1,2-dihydroxyhexan-3-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1R)-1-[(1S)-1,2-dihydroxyethyl]butyl] ester Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CO)O)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCC[C@H]([C@H](CO)O)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C14H20O4S/c1-2-6-13(12(16)9-15)18-14(17)10-19-11-7-4-3-5-8-11/h3-5,7-8,12-13,15-16H,2,6,9-10H2,1H3/t12-,13+/m0/s1