(E)-8-oxidanylidene-7-[(2R,4R)-4-oxidanylthiolan-2-yl]oct-5-enoic acid

Systemtic Name: (E)-8-oxidanylidene-7-[(2R,4R)-4-oxidanylthiolan-2-yl]oct-5-enoic acid Openeye Name: (E)-7-[(2R,4R)-4-hydroxytetrahydrothiophen-2-yl]-8-oxo-oct-5-enoic acid CAS Name: (E)-7-[(2R,4R)-4-hydroxy-2-thiolanyl]-8-oxo-5-octenoic acid IUPAC Name: (E)-7-[(2R,4R)-4-hydroxythiolan-2-yl]-8-oxooct-5-enoic acid Traditional Name: (E)-7-[(2R,4R)-4-hydroxytetrahydrothiophen-2-yl]-8-keto-oct-5-enoic acid Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC1C(C=CCCCC(=O)O)C=O)O

Isomeric SMILES

C1[C@H](CS[C@H]1C(/C=C/CCCC(=O)O)C=O)O

InChI

InChI=1S/C12H18O4S/c13-7-9(11-6-10(14)8-17-11)4-2-1-3-5-12(15)16/h2,4,7,9-11,14H,1,3,5-6,8H2,(H,15,16)/b4-2+/t9?,10-,11-/m1/s1