(5S)-6-(4-methylphenyl)sulfinyl-5-oxidanyl-3-oxidanylidene-hexanoate

Systemtic Name: (5S)-6-(4-methylphenyl)sulfinyl-5-oxidanyl-3-oxidanylidene-hexanoate Openeye Name: (5S)-5-hydroxy-3-oxo-6-(p-tolylsulfinyl)hexanoate CAS Name: (5S)-5-hydroxy-6-(4-methylphenyl)sulfinyl-3-oxohexanoate IUPAC Name: (5S)-5-hydroxy-6-(4-methylphenyl)sulfinyl-3-oxohexanoate Traditional Name: (5S)-5-hydroxy-3-keto-6-(p-tolylsulfinyl)hexanoate Formula: C13H15O5S- MolecularWeight: 283.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(CC(=O)CC(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5S/c1-9-2-4-12(5-3-9)19(18)8-11(15)6-10(14)7-13(16)17/h2-5,11,15H,6-8H2,1H3,(H,16,17)/p-1/t11-,19?/m0/s1