3-[[2-(2-methoxyoxan-4-yl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[2-(2-methoxyoxan-4-yl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[2-(2-methoxytetrahydropyran-4-yl)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[2-(2-methoxy-4-oxanyl)phenyl]methylthio]propanoic acid IUPAC Name: 3-[[2-(2-methoxyoxan-4-yl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[2-(2-methoxytetrahydropyran-4-yl)benzyl]thio]propionic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(CCO1)C2=CC=CC=C2CSCCC(=O)O

Isomeric SMILES

COC1CC(CCO1)C2=CC=CC=C2CSCCC(=O)O

InChI

InChI=1S/C16H22O4S/c1-19-16-10-12(6-8-20-16)14-5-3-2-4-13(14)11-21-9-7-15(17)18/h2-5,12,16H,6-11H2,1H3,(H,17,18)