(2R,3S,4S)-4-methyl-2-oxidanyl-3-phenylsulfanylcarbonyl-hexanoic acid

Systemtic Name: (2R,3S,4S)-4-methyl-2-oxidanyl-3-phenylsulfanylcarbonyl-hexanoic acid Openeye Name: (2R,3S,4S)-2-hydroxy-4-methyl-3-phenylsulfanylcarbonyl-hexanoic acid CAS Name: (2R,3S,4S)-2-hydroxy-4-methyl-3-[oxo-(phenylthio)methyl]hexanoic acid IUPAC Name: (2R,3S,4S)-2-hydroxy-4-methyl-3-phenylsulfanylcarbonylhexanoic acid Traditional Name: (2R,3S,4S)-2-hydroxy-4-methyl-3-(phenylthio)carbonyl-hexanoic acid Formula: C14H18O4S MolecularWeight: 282.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-3-9(2)11(12(15)13(16)17)14(18)19-10-7-5-4-6-8-10/h4-9,11-12,15H,3H2,1-2H3,(H,16,17)/t9-,11-,12+/m0/s1