methyl (5R,6S)-6-tert-butylsulfanyl-5-oxidanyl-3-oxidanylidene-7-phenyl-heptanoate

Systemtic Name: methyl (5R,6S)-6-tert-butylsulfanyl-5-oxidanyl-3-oxidanylidene-7-phenyl-heptanoate Openeye Name: methyl (5R,6S)-6-tert-butylsulfanyl-5-hydroxy-3-oxo-7-phenyl-heptanoate CAS Name: (5R,6S)-6-(tert-butylthio)-5-hydroxy-3-oxo-7-phenylheptanoic acid methyl ester IUPAC Name: methyl (5R,6S)-6-tert-butylsulfanyl-5-hydroxy-3-oxo-7-phenylheptanoate Traditional Name: (5R,6S)-6-(tert-butylthio)-5-hydroxy-3-keto-7-phenyl-enanthic acid methyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(CC1=CC=CC=C1)C(CC(=O)CC(=O)OC)O

Isomeric SMILES

CC(C)(C)S[C@@H](CC1=CC=CC=C1)[C@@H](CC(=O)CC(=O)OC)O

InChI

InChI=1S/C18H26O4S/c1-18(2,3)23-16(10-13-8-6-5-7-9-13)15(20)11-14(19)12-17(21)22-4/h5-9,15-16,20H,10-12H2,1-4H3/t15-,16+/m1/s1