(3R,4S)-6-methoxy-5,5-dimethyl-4-oxidanyl-6-oxidanylidene-3-phenylsulfanyl-hexanoic acid

Systemtic Name: (3R,4S)-6-methoxy-5,5-dimethyl-4-oxidanyl-6-oxidanylidene-3-phenylsulfanyl-hexanoic acid Openeye Name: (3R,4S)-4-hydroxy-6-methoxy-5,5-dimethyl-6-oxo-3-phenylsulfanyl-hexanoic acid CAS Name: (3R,4S)-4-hydroxy-6-methoxy-5,5-dimethyl-6-oxo-3-(phenylthio)hexanoic acid IUPAC Name: (3R,4S)-4-hydroxy-6-methoxy-5,5-dimethyl-6-oxo-3-phenylsulfanylhexanoic acid Traditional Name: (3R,4S)-4-hydroxy-6-keto-6-methoxy-5,5-dimethyl-3-(phenylthio)hexanoic acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(CC(=O)O)SC1=CC=CC=C1)O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H20O5S/c1-15(2,14(19)20-3)13(18)11(9-12(16)17)21-10-7-5-4-6-8-10/h4-8,11,13,18H,9H2,1-3H3,(H,16,17)/t11-,13-/m1/s1