2-(oxan-4-yloxymethyl)-3-(phenylmethyl)sulfonyl-propanoic acid

Systemtic Name: 2-(oxan-4-yloxymethyl)-3-(phenylmethyl)sulfonyl-propanoic acid Openeye Name: 2-(benzylsulfonylmethyl)-3-tetrahydropyran-4-yloxy-propanoic acid CAS Name: 2-(4-oxanyloxymethyl)-3-(phenylmethyl)sulfonylpropanoic acid IUPAC Name: 2-(benzylsulfonylmethyl)-3-(oxan-4-yloxy)propanoic acid Traditional Name: 2-(benzylsulfonylmethyl)-3-tetrahydropyran-4-yloxy-propionic acid Formula: C16H22O6S MolecularWeight: 342.40728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1OCC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1COCCC1OCC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H22O6S/c17-16(18)14(10-22-15-6-8-21-9-7-15)12-23(19,20)11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,17,18)