S-phenyl (2S,3S,4R)-2,4,7-trimethyl-3-oxidanyl-4-phenylsulfanyl-octanethioate

Systemtic Name: S-phenyl (2S,3S,4R)-2,4,7-trimethyl-3-oxidanyl-4-phenylsulfanyl-octanethioate Openeye Name: S-phenyl (2S,3S,4R)-3-hydroxy-2,4,7-trimethyl-4-phenylsulfanyl-octanethioate CAS Name: (2S,3S,4R)-3-hydroxy-2,4,7-trimethyl-4-(phenylthio)octanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S,3S,4R)-3-hydroxy-2,4,7-trimethyl-4-phenylsulfanyloctanethioate Traditional Name: (2S,3S,4R)-3-hydroxy-2,4,7-trimethyl-4-(phenylthio)octanethioic acid S-phenyl ester Formula: C23H30O2S2 MolecularWeight: 402.6131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)(C(C(C)C(=O)SC1=CC=CC=C1)O)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@@H]([C@@](C)(CCC(C)C)SC1=CC=CC=C1)O)C(=O)SC2=CC=CC=C2

InChI

InChI=1S/C23H30O2S2/c1-17(2)15-16-23(4,27-20-13-9-6-10-14-20)21(24)18(3)22(25)26-19-11-7-5-8-12-19/h5-14,17-18,21,24H,15-16H2,1-4H3/t18-,21-,23+/m0/s1