(3R,5S)-6-(4-methylphenyl)sulfinyl-3,5-bis(oxidanyl)hexanoate

Systemtic Name: (3R,5S)-6-(4-methylphenyl)sulfinyl-3,5-bis(oxidanyl)hexanoate Openeye Name: (3R,5S)-3,5-dihydroxy-6-(p-tolylsulfinyl)hexanoate CAS Name: (3R,5S)-3,5-dihydroxy-6-(4-methylphenyl)sulfinylhexanoate IUPAC Name: (3R,5S)-3,5-dihydroxy-6-(4-methylphenyl)sulfinylhexanoate Traditional Name: (3R,5S)-3,5-dihydroxy-6-(p-tolylsulfinyl)hexanoate Formula: C13H17O5S- MolecularWeight: 285.33608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5S/c1-9-2-4-12(5-3-9)19(18)8-11(15)6-10(14)7-13(16)17/h2-5,10-11,14-15H,6-8H2,1H3,(H,16,17)/p-1/t10-,11+,19?/m1/s1