3-[[(3S)-2-oxidanylidenethian-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[(3S)-2-oxidanylidenethian-3-yl]methyl]benzoic acid Openeye Name: 3-[[(3S)-2-oxotetrahydrothiopyran-3-yl]methyl]benzoic acid CAS Name: 3-[[(3S)-2-oxo-3-thianyl]methyl]benzoic acid IUPAC Name: 3-[[(3S)-2-oxothian-3-yl]methyl]benzoic acid Traditional Name: 3-[[(3S)-2-ketotetrahydrothiopyran-3-yl]methyl]benzoic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)SC1)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1C[C@H](C(=O)SC1)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H14O3S/c14-12(15)10-4-1-3-9(7-10)8-11-5-2-6-17-13(11)16/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)/t11-/m0/s1