2-(oxan-4-yloxymethyl)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(oxan-4-yloxymethyl)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-(benzylsulfanylmethyl)-3-tetrahydropyran-4-yloxy-propanoic acid CAS Name: 2-(4-oxanyloxymethyl)-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-(benzylsulfanylmethyl)-3-(oxan-4-yloxy)propanoic acid Traditional Name: 2-[(benzylthio)methyl]-3-tetrahydropyran-4-yloxy-propionic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1OCC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1COCCC1OCC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H22O4S/c17-16(18)14(10-20-15-6-8-19-9-7-15)12-21-11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,17,18)