S-phenyl (2S,3S,4R)-2,6-dimethyl-3-oxidanyl-4-phenylsulfanyl-heptanethioate

Systemtic Name: S-phenyl (2S,3S,4R)-2,6-dimethyl-3-oxidanyl-4-phenylsulfanyl-heptanethioate Openeye Name: S-phenyl (2S,3S,4R)-3-hydroxy-2,6-dimethyl-4-phenylsulfanyl-heptanethioate CAS Name: (2S,3S,4R)-3-hydroxy-2,6-dimethyl-4-(phenylthio)heptanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S,3S,4R)-3-hydroxy-2,6-dimethyl-4-phenylsulfanylheptanethioate Traditional Name: (2S,3S,4R)-3-hydroxy-2,6-dimethyl-4-(phenylthio)heptanethioic acid S-phenyl ester Formula: C21H26O2S2 MolecularWeight: 374.55994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O2S2/c1-15(2)14-19(24-17-10-6-4-7-11-17)20(22)16(3)21(23)25-18-12-8-5-9-13-18/h4-13,15-16,19-20,22H,14H2,1-3H3/t16-,19+,20-/m0/s1