ethyl (2S,3S)-3-oxidanyl-2-phenylsulfanyl-decanoate

Systemtic Name: ethyl (2S,3S)-3-oxidanyl-2-phenylsulfanyl-decanoate Openeye Name: ethyl (2S,3S)-3-hydroxy-2-phenylsulfanyl-decanoate CAS Name: (2S,3S)-3-hydroxy-2-(phenylthio)decanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-2-phenylsulfanyldecanoate Traditional Name: (2S,3S)-3-hydroxy-2-(phenylthio)capric acid ethyl ester Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C(=O)OCC)SC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCC[C@@H]([C@@H](C(=O)OCC)SC1=CC=CC=C1)O

InChI

InChI=1S/C18H28O3S/c1-3-5-6-7-11-14-16(19)17(18(20)21-4-2)22-15-12-9-8-10-13-15/h8-10,12-13,16-17,19H,3-7,11,14H2,1-2H3/t16-,17-/m0/s1