(3R,4S)-6-ethoxy-5-methyl-4-oxidanyl-6-oxidanylidene-3-phenylsulfanyl-hexanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O5S/c1-3-20-15(19)10(2)14(18)12(9-13(16)17)21-11-7-5-4-6-8-11/h4-8,10,12,14,18H,3,9H2,1-2H3,(H,16,17)/t10?,12-,14+/m1/s1