[(2R,3S,4S)-2-(hydroxymethyl)-4-oxidanyl-thiolan-3-yl] benzoate

Systemtic Name: [(2R,3S,4S)-2-(hydroxymethyl)-4-oxidanyl-thiolan-3-yl] benzoate Openeye Name: [(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)tetrahydrothiophen-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)-3-thiolanyl] ester IUPAC Name: [(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)thiolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S)-4-hydroxy-2-methylol-tetrahydrothiophen-3-yl] ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(S1)CO)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C1[C@H]([C@@H]([C@H](S1)CO)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C12H14O4S/c13-6-10-11(9(14)7-17-10)16-12(15)8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2/t9-,10-,11+/m1/s1